N'-pentyltridecane-1,13-diamine

C18H40N2 — CID 174397381

IUPACN'-pentyltridecane-1,13-diamine
SMILESCCCCCNCCCCCCCCCCCCCN
InChIInChI=1S/C18H40N2/c1-2-3-14-17-20-18-15-12-10-8-6-4-5-7-9-11-13-16-19/h20H,2-19H2,1H3
InChIKeyISFLARPSKFCZTQ-UHFFFAOYSA-N
MW284.53 g/mol
LogP5.02
Rot. Bonds17

About N'-pentyltridecane-1,13-diamine

N'-pentyltridecane-1,13-diamine (PubChem CID 174397381) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is N'-pentyltridecane-1,13-diamine.

Molecular Properties

Compound NameN'-pentyltridecane-1,13-diamine
PubChem CID174397381
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC NameN'-pentyltridecane-1,13-diamine
SMILESCCCCCNCCCCCCCCCCCCCN
InChIInChI=1S/C18H40N2/c1-2-3-14-17-20-18-15-12-10-8-6-4-5-7-9-11-13-16-19/h20H,2-19H2,1H3
InChIKeyISFLARPSKFCZTQ-UHFFFAOYSA-N
XLogP5.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-butyloctadecane-1,18-diamine
CID 19427141
ethane;N'-pentylbutane-1,4-diamine
CID 171066485
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N'-docosylethane-1,2-diamine
CID 18783196
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-henicosylethane-1,2-diamine
CID 22930907
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895

Frequently Asked Questions

What is the IUPAC name of N'-pentyltridecane-1,13-diamine?
The IUPAC name of N'-pentyltridecane-1,13-diamine (CID 174397381) is N'-pentyltridecane-1,13-diamine.
What is the SMILES notation for N'-pentyltridecane-1,13-diamine?
The canonical SMILES for N'-pentyltridecane-1,13-diamine is CCCCCNCCCCCCCCCCCCCN.
What is the InChIKey of N'-pentyltridecane-1,13-diamine?
The InChIKey is ISFLARPSKFCZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-2-3-14-17-20-18-15-12-10-8-6-4-5-7-9-11-13-16-19/h20H,2-19H2,1H3.
What are the key properties of N'-pentyltridecane-1,13-diamine?
N'-pentyltridecane-1,13-diamine has a molecular weight of 284.53 g/mol, XLogP of 5.02, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentyltridecane-1,13-diamine is sourced from PubChem (CID 174397381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).