2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine

C18H28N4 — CID 142230774

IUPAC2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
SMILESCCN(C)c1nc(NCC2CCCCC2)nc2c1=CCCC=2
InChIInChI=1S/C18H28N4/c1-3-22(2)17-15-11-7-8-12-16(15)20-18(21-17)19-13-14-9-5-4-6-10-14/h11-12,14H,3-10,13H2,1-2H3,(H,19,20)
InChIKeyBAIAHSINKLDEHI-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.28
Rot. Bonds5

About 2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine

2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine (PubChem CID 142230774) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
PubChem CID142230774
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
SMILESCCN(C)c1nc(NCC2CCCCC2)nc2c1=CCCC=2
InChIInChI=1S/C18H28N4/c1-3-22(2)17-15-11-7-8-12-16(15)20-18(21-17)19-13-14-9-5-4-6-10-14/h11-12,14H,3-10,13H2,1-2H3,(H,19,20)
InChIKeyBAIAHSINKLDEHI-UHFFFAOYSA-N
XLogP2.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Butyl-6-(4-ethylhept-1-en-2-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)-4-methylidene-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 130183252
N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine
CID 137315152
N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine
CID 137428267
ethane;3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine;methylcyclopentane
CID 143181692
2-(4-aminocyclohexyl)-4-N,4-N-dimethyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine
CID 153756516
1-(cyclohexa-1,5-dien-1-ylmethyl)-6-cyclohex-3-en-1-yl-4-[(2E,4Z)-6-[6-[4-(2,4-dimethylpenta-1,3-dien-3-yl)-3-ethylcyclohepta-1,3-dien-1-yl]-1,2-dihydropyridin-3-yl]hepta-2,4-dien-3-yl]-2H-1,3,5-triazine
CID 169851137
7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine
CID 170188169
1-(4-Aminocyclohex-2-en-1-yl)-2-[6-(4-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-2-yl]guanidine
CID 173890090
(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
CID 142228241
2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142229396
(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
CID 142230397
4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230474

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine (CID 142230774) is 2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine is CCN(C)c1nc(NCC2CCCCC2)nc2c1=CCCC=2.
What is the InChIKey of 2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine?
The InChIKey is BAIAHSINKLDEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-3-22(2)17-15-11-7-8-12-16(15)20-18(21-17)19-13-14-9-5-4-6-10-14/h11-12,14H,3-10,13H2,1-2H3,(H,19,20).
What are the key properties of 2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine?
2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine has a molecular weight of 300.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine is sourced from PubChem (CID 142230774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).