N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine

C15H30N2 — CID 106624769

IUPACN-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCCCCCCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H30N2/c1-2-3-4-5-11-17(15-8-9-15)13-14-7-6-10-16-12-14/h14-16H,2-13H2,1H3
InChIKeyOQLITHMCGZDHAT-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds8

About N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine

N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106624769) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106624769
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCCCCCCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H30N2/c1-2-3-4-5-11-17(15-8-9-15)13-14-7-6-10-16-12-14/h14-16H,2-13H2,1H3
InChIKeyOQLITHMCGZDHAT-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
CID 107705718
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639978
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
3,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propylcyclohexan-1-amine
CID 106625170
(3S)-3-heptylpiperidine
CID 155456188
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
3-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-methylpropanamide
CID 106639726
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106624769) is N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine is CCCCCCN(CC1CCCNC1)C1CC1.
What is the InChIKey of N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is OQLITHMCGZDHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-3-4-5-11-17(15-8-9-15)13-14-7-6-10-16-12-14/h14-16H,2-13H2,1H3.
What are the key properties of N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106624769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).