2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine

C17H24N4 — CID 63968294

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine
SMILESCN1CCCN(C(CN)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H24N4/c1-20-8-3-9-21(11-10-20)17(13-18)15-5-6-16-14(12-15)4-2-7-19-16/h2,4-7,12,17H,3,8-11,13,18H2,1H3
InChIKeyYDEAKSQUUFWWID-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.87
Rot. Bonds3

About 2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine

2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine (PubChem CID 63968294) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine
PubChem CID63968294
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine
SMILESCN1CCCN(C(CN)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H24N4/c1-20-8-3-9-21(11-10-20)17(13-18)15-5-6-16-14(12-15)4-2-7-19-16/h2,4-7,12,17H,3,8-11,13,18H2,1H3
InChIKeyYDEAKSQUUFWWID-UHFFFAOYSA-N
XLogP1.87
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine
CID 43209319
2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine
CID 63968717
2-(3,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43105682
2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile
CID 65420095
2-pyrrolidin-1-yl-2-quinolin-3-ylethanamine
CID 67140262
2-quinolin-6-ylpropan-1-amine
CID 79002101
2-(4-methyl-1,4-diazepan-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43131514
2-(4-methyl-1,4-diazepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61210753
(1,4-dimethylpiperazin-2-yl)-quinolin-6-ylmethanamine
CID 81231152
3-(2-methylpiperidin-1-yl)-2-quinolin-6-ylpropan-1-amine
CID 82107815
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 81229525
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine (CID 63968294) is 2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine is CN1CCCN(C(CN)c2ccc3ncccc3c2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine?
The InChIKey is YDEAKSQUUFWWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-8-3-9-21(11-10-20)17(13-18)15-5-6-16-14(12-15)4-2-7-19-16/h2,4-7,12,17H,3,8-11,13,18H2,1H3.
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine?
2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine has a molecular weight of 284.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine is sourced from PubChem (CID 63968294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).