[2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine

C14H24N4 — CID 114199136

IUPAC[2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine
SMILESCC1CN(C)CCCN1Cc1ncccc1CN
InChIInChI=1S/C14H24N4/c1-12-10-17(2)7-4-8-18(12)11-14-13(9-15)5-3-6-16-14/h3,5-6,12H,4,7-11,15H2,1-2H3
InChIKeyIRSCENYWOUXULK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.07
Rot. Bonds3

About [2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine

[2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine (PubChem CID 114199136) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine
PubChem CID114199136
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name[2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine
SMILESCC1CN(C)CCCN1Cc1ncccc1CN
InChIInChI=1S/C14H24N4/c1-12-10-17(2)7-4-8-18(12)11-14-13(9-15)5-3-6-16-14/h3,5-6,12H,4,7-11,15H2,1-2H3
InChIKeyIRSCENYWOUXULK-UHFFFAOYSA-N
XLogP1.07
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199128
[2-(azetidin-1-ylmethyl)-3-pyridinyl]methanamine
CID 105437205
3-[(2,4-dimethylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 114087968
5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
CID 114087556
[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine
CID 114199079
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55217914
[3-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895699
[2-[(3,3-dimethylpiperidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199075
3-chloro-2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]aniline
CID 114086305
[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 63605164
3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine
CID 171690143
2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 82187666

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine?
The IUPAC name of [2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine (CID 114199136) is [2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine is CC1CN(C)CCCN1Cc1ncccc1CN.
What is the InChIKey of [2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine?
The InChIKey is IRSCENYWOUXULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12-10-17(2)7-4-8-18(12)11-14-13(9-15)5-3-6-16-14/h3,5-6,12H,4,7-11,15H2,1-2H3.
What are the key properties of [2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine?
[2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 114199136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).