N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine

C16H27N3 — CID 105074040

IUPACN-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
SMILESCNCc1ccncc1N1CCCC(C(C)C)CC1
InChIInChI=1S/C16H27N3/c1-13(2)14-5-4-9-19(10-7-14)16-12-18-8-6-15(16)11-17-3/h6,8,12-14,17H,4-5,7,9-11H2,1-3H3
InChIKeyDJMCCDIKVTYJRA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.06
Rot. Bonds4

About N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine

N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine (PubChem CID 105074040) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
PubChem CID105074040
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
SMILESCNCc1ccncc1N1CCCC(C(C)C)CC1
InChIInChI=1S/C16H27N3/c1-13(2)14-5-4-9-19(10-7-14)16-12-18-8-6-15(16)11-17-3/h6,8,12-14,17H,4-5,7,9-11H2,1-3H3
InChIKeyDJMCCDIKVTYJRA-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105074044
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597
1-[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105073708
1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105073744
N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine
CID 105074260
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105073924
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105073921
N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073026
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81247515
1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 130877424
1-[3-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072555

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine (CID 105074040) is N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine is CNCc1ccncc1N1CCCC(C(C)C)CC1.
What is the InChIKey of N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine?
The InChIKey is DJMCCDIKVTYJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)14-5-4-9-19(10-7-14)16-12-18-8-6-15(16)11-17-3/h6,8,12-14,17H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine?
N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 105074040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).