N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine

C13H22N4 — CID 79242714

IUPACN-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
SMILESCNc1cccc(CN2CCCN(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-14-13-6-3-5-12(15-13)11-17-8-4-7-16(2)9-10-17/h3,5-6H,4,7-11H2,1-2H3,(H,14,15)
InChIKeyYPWGFFRVGZGGQK-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.26
Rot. Bonds3

About N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine

N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine (PubChem CID 79242714) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
PubChem CID79242714
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
SMILESCNc1cccc(CN2CCCN(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-14-13-6-3-5-12(15-13)11-17-8-4-7-16(2)9-10-17/h3,5-6H,4,7-11H2,1-2H3,(H,14,15)
InChIKeyYPWGFFRVGZGGQK-UHFFFAOYSA-N
XLogP1.26
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79242779
N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 79243422
N-methyl-6-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 79231761
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984
6-[(4-cyclopropylpiperazin-1-yl)methyl]-N-methylpyridin-2-amine
CID 79243399
[6-(azetidin-1-ylmethyl)-2-pyridinyl]hydrazine
CID 126980714
N-methyl-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-amine
CID 79233628
2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107226409
[1-[[6-(methylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 79242797
N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 79233400
1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106905663
[6-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437203

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine (CID 79242714) is N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine is CNc1cccc(CN2CCCN(C)CC2)n1.
What is the InChIKey of N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
The InChIKey is YPWGFFRVGZGGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-13-6-3-5-12(15-13)11-17-8-4-7-16(2)9-10-17/h3,5-6H,4,7-11H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79242714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).