(1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine

C20H26N4 — CID 44577468

IUPAC(1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine
SMILESC[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C20H26N4/c1-12-16-9-14-5-6-15-18(22-11-23-19(15)21)17(14)20(12,2)7-8-24(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H2,21,22,23)/t12-,16?,20-/m0/s1
InChIKeyZYYCSXTURJNMLS-DPZUSKQMSA-N
MW322.46 g/mol
LogP3.15
Rot. Bonds2

About (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine

(1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine (PubChem CID 44577468) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine.

Molecular Properties

Compound Name(1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine
PubChem CID44577468
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name(1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine
SMILESC[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C20H26N4/c1-12-16-9-14-5-6-15-18(22-11-23-19(15)21)17(14)20(12,2)7-8-24(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H2,21,22,23)/t12-,16?,20-/m0/s1
InChIKeyZYYCSXTURJNMLS-DPZUSKQMSA-N
XLogP3.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
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CID 25128822
5,5-Dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine
CID 134817499
6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride
CID 25132194
6-(4-tert-Butyl-phenyl)-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10222462
(4-tert-Butyl-benzyl)-quinazolin-4-yl-amine
CID 44441995
4-(4-Methylpiperazin-1-yl)-7-phenylquinazolin-2-amine
CID 49841610
7-(2,6-Dimethylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 49841611
4-(4-Methylpiperazin-1-yl)-8-phenylquinazolin-2-amine
CID 49841720
8-(2,6-Dimethylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 49841721
N,N-dimethyl-N''-[6-(1-methylethyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 121255069
N''-(6-cyclopropylquinazolin-4-yl)-N,N-dimethylcyclohexane-1,4-diamine
CID 121256083

Frequently Asked Questions

What is the IUPAC name of (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine?
The IUPAC name of (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine (CID 44577468) is (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine.
What is the SMILES notation for (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine?
The canonical SMILES for (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine is C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1.
What is the InChIKey of (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine?
The InChIKey is ZYYCSXTURJNMLS-DPZUSKQMSA-N. The full InChI is InChI=1S/C20H26N4/c1-12-16-9-14-5-6-15-18(22-11-23-19(15)21)17(14)20(12,2)7-8-24(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H2,21,22,23)/t12-,16?,20-/m0/s1.
What are the key properties of (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine?
(1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine has a molecular weight of 322.46 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,6,9-pentaen-7-amine is sourced from PubChem (CID 44577468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).