N-methyl-1-pyridin-3-ylazepan-3-amine

C12H19N3 — CID 10219904

IUPACN-methyl-1-pyridin-3-ylazepan-3-amine
SMILESCNC1CCCCN(c2cccnc2)C1
InChIInChI=1S/C12H19N3/c1-13-11-5-2-3-8-15(10-11)12-6-4-7-14-9-12/h4,6-7,9,11,13H,2-3,5,8,10H2,1H3
InChIKeyPCQNVCGEHLBOLQ-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.66
Rot. Bonds2

About N-methyl-1-pyridin-3-ylazepan-3-amine

N-methyl-1-pyridin-3-ylazepan-3-amine (PubChem CID 10219904) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-methyl-1-pyridin-3-ylazepan-3-amine.

Molecular Properties

Compound NameN-methyl-1-pyridin-3-ylazepan-3-amine
PubChem CID10219904
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-methyl-1-pyridin-3-ylazepan-3-amine
SMILESCNC1CCCCN(c2cccnc2)C1
InChIInChI=1S/C12H19N3/c1-13-11-5-2-3-8-15(10-11)12-6-4-7-14-9-12/h4,6-7,9,11,13H,2-3,5,8,10H2,1H3
InChIKeyPCQNVCGEHLBOLQ-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
N-methyl-1-(5-methyl-3-pyridinyl)piperidin-3-amine
CID 107586864
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile
CID 86336417
(1-pyridin-3-ylpiperidin-3-yl)methanamine
CID 83818099
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane
CID 24752137
tert-butyl N-(1-pyridin-3-ylpiperidin-3-yl)carbamate;1-pyridin-3-ylpiperidin-3-amine
CID 167592653
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
N-methyl-1-(5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 107585704
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
CID 175933789

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-3-ylazepan-3-amine?
The IUPAC name of N-methyl-1-pyridin-3-ylazepan-3-amine (CID 10219904) is N-methyl-1-pyridin-3-ylazepan-3-amine.
What is the SMILES notation for N-methyl-1-pyridin-3-ylazepan-3-amine?
The canonical SMILES for N-methyl-1-pyridin-3-ylazepan-3-amine is CNC1CCCCN(c2cccnc2)C1.
What is the InChIKey of N-methyl-1-pyridin-3-ylazepan-3-amine?
The InChIKey is PCQNVCGEHLBOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-13-11-5-2-3-8-15(10-11)12-6-4-7-14-9-12/h4,6-7,9,11,13H,2-3,5,8,10H2,1H3.
What are the key properties of N-methyl-1-pyridin-3-ylazepan-3-amine?
N-methyl-1-pyridin-3-ylazepan-3-amine has a molecular weight of 205.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-3-ylazepan-3-amine is sourced from PubChem (CID 10219904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).