N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine

C16H30N2 — CID 114276073

IUPACN-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCCCC(C1CC1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H30N2/c1-2-5-16(13-7-8-13)18(15-9-10-15)12-14-6-3-4-11-17-14/h13-17H,2-12H2,1H3
InChIKeyXUMGGDXMZBRKGE-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds7

About N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine

N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 114276073) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID114276073
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCCCC(C1CC1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H30N2/c1-2-5-16(13-7-8-13)18(15-9-10-15)12-14-6-3-4-11-17-14/h13-17H,2-12H2,1H3
InChIKeyXUMGGDXMZBRKGE-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621821
N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621648
ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate
CID 106631700
N-(4-methylpentan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599096
1-ethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpiperidin-4-amine
CID 106622124
N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631447
1-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602779
4,4-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622300
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
1-cyclopropyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603245
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 114276073) is N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine is CCCC(C1CC1)N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is XUMGGDXMZBRKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-5-16(13-7-8-13)18(15-9-10-15)12-14-6-3-4-11-17-14/h13-17H,2-12H2,1H3.
What are the key properties of N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 250.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 114276073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).