N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine

C15H31N3 — CID 65077288

IUPACN-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(N(C)C2CCCNC2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)18-10-5-7-14(8-11-18)17(3)15-6-4-9-16-12-15/h13-16H,4-12H2,1-3H3
InChIKeyVNGYBEYTAKMCPS-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds3

About N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine

N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine (PubChem CID 65077288) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine
PubChem CID65077288
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(N(C)C2CCCNC2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)18-10-5-7-14(8-11-18)17(3)15-6-4-9-16-12-15/h13-16H,4-12H2,1-3H3
InChIKeyVNGYBEYTAKMCPS-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
N-cyclohexyl-N-methylpiperidin-3-amine;dihydrochloride
CID 56831585
N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine
CID 65077931
N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine
CID 66181851
N-cyclopropyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624960
N-methyl-N-(3-methylcyclohexyl)piperidin-3-amine
CID 61446233
N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624585
(3R)-N-cyclopropyl-N-methylpyrrolidin-3-amine
CID 66569483
N-methyl-N-piperidin-3-ylmethanesulfinamide
CID 130905817
N,1-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
CID 66755408
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230851

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine (CID 65077288) is N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(N(C)C2CCCNC2)CC1.
What is the InChIKey of N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine?
The InChIKey is VNGYBEYTAKMCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)18-10-5-7-14(8-11-18)17(3)15-6-4-9-16-12-15/h13-16H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine?
N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65077288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).