N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine

C18H27N3 — CID 63969124

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine
SMILESCC(N(C)C(CN)c1cccc2cccnc12)C(C)(C)C
InChIInChI=1S/C18H27N3/c1-13(18(2,3)4)21(5)16(12-19)15-10-6-8-14-9-7-11-20-17(14)15/h6-11,13,16H,12,19H2,1-5H3
InChIKeyPABIOLQQXDQRJM-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.60
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine

N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine (PubChem CID 63969124) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine
PubChem CID63969124
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine
SMILESCC(N(C)C(CN)c1cccc2cccnc12)C(C)(C)C
InChIInChI=1S/C18H27N3/c1-13(18(2,3)4)21(5)16(12-19)15-10-6-8-14-9-7-11-20-17(14)15/h6-11,13,16H,12,19H2,1-5H3
InChIKeyPABIOLQQXDQRJM-UHFFFAOYSA-N
XLogP3.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine
CID 63968924
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
N-cyclopropyl-N-(2-methoxyethyl)-1-quinolin-8-ylethane-1,2-diamine
CID 63968305
2-(dimethylamino)-2-methyl-1-quinolin-8-ylpropan-1-ol
CID 81220750
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
1-quinolin-8-ylbutan-1-amine
CID 79016206
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-ol
CID 81209930
1-quinolin-8-ylhexan-1-amine
CID 105021327
2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol
CID 116713256
N-ethyl-2,2-dimethyl-1-quinolin-8-ylbutan-1-amine
CID 105021242

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine (CID 63969124) is N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine is CC(N(C)C(CN)c1cccc2cccnc12)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine?
The InChIKey is PABIOLQQXDQRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(18(2,3)4)21(5)16(12-19)15-10-6-8-14-9-7-11-20-17(14)15/h6-11,13,16H,12,19H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine?
N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine has a molecular weight of 285.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 63969124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).