N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine

C14H28N2 — CID 106621821

IUPACN-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCCCC(C)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C14H28N2/c1-3-6-12(2)16(14-8-9-14)11-13-7-4-5-10-15-13/h12-15H,3-11H2,1-2H3
InChIKeyXCQGZQWTPJPPHU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds6

About N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine

N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106621821) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106621821
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCCCC(C)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C14H28N2/c1-3-6-12(2)16(14-8-9-14)11-13-7-4-5-10-15-13/h12-15H,3-11H2,1-2H3
InChIKeyXCQGZQWTPJPPHU-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 114276073
N-(4-methylpentan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599096
N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621648
1-ethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpiperidin-4-amine
CID 106622124
4,4-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622300
ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate
CID 106631700
N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599994
N-(piperidin-2-ylmethyl)-N-propan-2-yloxetan-3-amine
CID 176601027
N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine
CID 106622294
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106631682
N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide
CID 106631536

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106621821) is N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine is CCCC(C)N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is XCQGZQWTPJPPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-6-12(2)16(14-8-9-14)11-13-7-4-5-10-15-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 224.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106621821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).