N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine

C16H25N3 — CID 143113276

IUPACN-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine
SMILESc1cncc(CN(CC2CC2)C2CCCNCC2)c1
InChIInChI=1S/C16H25N3/c1-3-15(11-18-9-1)13-19(12-14-5-6-14)16-4-2-8-17-10-7-16/h1,3,9,11,14,16-17H,2,4-8,10,12-13H2
InChIKeyFENXVFPXUGLFFL-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.44
Rot. Bonds5

About N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine

N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine (PubChem CID 143113276) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine
PubChem CID143113276
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine
SMILESc1cncc(CN(CC2CC2)C2CCCNCC2)c1
InChIInChI=1S/C16H25N3/c1-3-15(11-18-9-1)13-19(12-14-5-6-14)16-4-2-8-17-10-7-16/h1,3,9,11,14,16-17H,2,4-8,10,12-13H2
InChIKeyFENXVFPXUGLFFL-UHFFFAOYSA-N
XLogP2.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 158216274
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
N-(cyclopropylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624329
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine
CID 59290842
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624330
N-(1-benzofuran-2-ylmethyl)-N-(pyrimidin-5-ylmethyl)azepan-4-amine;hydrochloride
CID 154753773
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine (CID 143113276) is N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine is c1cncc(CN(CC2CC2)C2CCCNCC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine?
The InChIKey is FENXVFPXUGLFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-15(11-18-9-1)13-19(12-14-5-6-14)16-4-2-8-17-10-7-16/h1,3,9,11,14,16-17H,2,4-8,10,12-13H2.
What are the key properties of N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine?
N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine has a molecular weight of 259.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine is sourced from PubChem (CID 143113276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).