N'-cyclopentyl-N'-hexylpropane-1,3-diamine

C14H30N2 — CID 43137589

IUPACN'-cyclopentyl-N'-hexylpropane-1,3-diamine
SMILESCCCCCCN(CCCN)C1CCCC1
InChIInChI=1S/C14H30N2/c1-2-3-4-7-12-16(13-8-11-15)14-9-5-6-10-14/h14H,2-13,15H2,1H3
InChIKeyLCIBJTBCPFAFTO-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.16
Rot. Bonds9

About N'-cyclopentyl-N'-hexylpropane-1,3-diamine

N'-cyclopentyl-N'-hexylpropane-1,3-diamine (PubChem CID 43137589) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-cyclopentyl-N'-hexylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-hexylpropane-1,3-diamine
PubChem CID43137589
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-cyclopentyl-N'-hexylpropane-1,3-diamine
SMILESCCCCCCN(CCCN)C1CCCC1
InChIInChI=1S/C14H30N2/c1-2-3-4-7-12-16(13-8-11-15)14-9-5-6-10-14/h14H,2-13,15H2,1H3
InChIKeyLCIBJTBCPFAFTO-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-hexylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-hexylpropane-1,3-diamine (CID 43137589) is N'-cyclopentyl-N'-hexylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-hexylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-hexylpropane-1,3-diamine is CCCCCCN(CCCN)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-hexylpropane-1,3-diamine?
The InChIKey is LCIBJTBCPFAFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-2-3-4-7-12-16(13-8-11-15)14-9-5-6-10-14/h14H,2-13,15H2,1H3.
What are the key properties of N'-cyclopentyl-N'-hexylpropane-1,3-diamine?
N'-cyclopentyl-N'-hexylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-hexylpropane-1,3-diamine is sourced from PubChem (CID 43137589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).