N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine

C12H24N2 — CID 62582229

IUPACN-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
SMILESCC(C)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C12H24N2/c1-10(2)14-7-3-4-11(9-14)8-13-12-5-6-12/h10-13H,3-9H2,1-2H3
InChIKeySXGVDYDHHSZLGQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds4

About N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine

N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine (PubChem CID 62582229) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
PubChem CID62582229
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
SMILESCC(C)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C12H24N2/c1-10(2)14-7-3-4-11(9-14)8-13-12-5-6-12/h10-13H,3-9H2,1-2H3
InChIKeySXGVDYDHHSZLGQ-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-butan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 63849007
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091119
N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073948
N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513787
4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 61209081
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[4.5]decan-8-amine
CID 114817523
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183
3-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 64501124
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847259
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid
CID 83047700
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63848300

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine (CID 62582229) is N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine is CC(C)N1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine?
The InChIKey is SXGVDYDHHSZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)14-7-3-4-11(9-14)8-13-12-5-6-12/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine?
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62582229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).