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

C17H36N2 — CID 43319594

IUPACN'-cyclopentyl-N'-nonylpropane-1,3-diamine
SMILESCCCCCCCCCN(CCCN)C1CCCC1
InChIInChI=1S/C17H36N2/c1-2-3-4-5-6-7-10-15-19(16-11-14-18)17-12-8-9-13-17/h17H,2-16,18H2,1H3
InChIKeyHTZNJGQCEVIIJH-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.33
Rot. Bonds12

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

N'-cyclopentyl-N'-nonylpropane-1,3-diamine (PubChem CID 43319594) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N'-cyclopentyl-N'-nonylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-nonylpropane-1,3-diamine
PubChem CID43319594
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN'-cyclopentyl-N'-nonylpropane-1,3-diamine
SMILESCCCCCCCCCN(CCCN)C1CCCC1
InChIInChI=1S/C17H36N2/c1-2-3-4-5-6-7-10-15-19(16-11-14-18)17-12-8-9-13-17/h17H,2-16,18H2,1H3
InChIKeyHTZNJGQCEVIIJH-UHFFFAOYSA-N
XLogP4.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.33
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'-nonylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-nonylpropane-1,3-diamine (CID 43319594) is N'-cyclopentyl-N'-nonylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-nonylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-nonylpropane-1,3-diamine is CCCCCCCCCN(CCCN)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-nonylpropane-1,3-diamine?
The InChIKey is HTZNJGQCEVIIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-2-3-4-5-6-7-10-15-19(16-11-14-18)17-12-8-9-13-17/h17H,2-16,18H2,1H3.
What are the key properties of N'-cyclopentyl-N'-nonylpropane-1,3-diamine?
N'-cyclopentyl-N'-nonylpropane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.33, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-nonylpropane-1,3-diamine is sourced from PubChem (CID 43319594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).