5,15-diethylnonadecane-5,14-diamine

C23H50N2 — CID 15610190

IUPAC5,15-diethylnonadecane-5,14-diamine
SMILESCCCCC(CC)C(N)CCCCCCCCC(N)(CC)CCCC
InChIInChI=1S/C23H50N2/c1-5-9-17-21(7-3)22(24)18-15-13-11-12-14-16-20-23(25,8-4)19-10-6-2/h21-22H,5-20,24-25H2,1-4H3
InChIKeyGUQYMSYVDBHHCR-UHFFFAOYSA-N
MW354.67 g/mol
LogP6.95
Rot. Bonds18

About 5,15-diethylnonadecane-5,14-diamine

5,15-diethylnonadecane-5,14-diamine (PubChem CID 15610190) has the molecular formula C23H50N2 and a molecular weight of 354.67 g/mol. Its IUPAC name is 5,15-diethylnonadecane-5,14-diamine.

Molecular Properties

Compound Name5,15-diethylnonadecane-5,14-diamine
PubChem CID15610190
Molecular FormulaC23H50N2
Molecular Weight354.67 g/mol
Exact Mass354.40
IUPAC Name5,15-diethylnonadecane-5,14-diamine
SMILESCCCCC(CC)C(N)CCCCCCCCC(N)(CC)CCCC
InChIInChI=1S/C23H50N2/c1-5-9-17-21(7-3)22(24)18-15-13-11-12-14-16-20-23(25,8-4)19-10-6-2/h21-22H,5-20,24-25H2,1-4H3
InChIKeyGUQYMSYVDBHHCR-UHFFFAOYSA-N
XLogP6.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.67
LogP ≤ 56.95
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

5-ethyltetradecan-6-amine
CID 115835159
5,9-diethyltridecane-6,8-diamine
CID 57146972
6-ethylundecan-6-amine
CID 173250227
5-butylhexadecan-5-amine
CID 22244897
5-ethylnonan-5-amine;hydrochloride
CID 174766496
3-ethylnonadecan-3-amine
CID 19028625
11-decylhenicosan-11-amine
CID 19847882
3-ethylheptan-3-amine
CID 12708037
13-ethylhexadecane-1,12-diamine
CID 151701600
3-ethyltetracosan-3-amine;hydrochloride
CID 173207893
5,6-diethyldodecane
CID 90761715
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860

Frequently Asked Questions

What is the IUPAC name of 5,15-diethylnonadecane-5,14-diamine?
The IUPAC name of 5,15-diethylnonadecane-5,14-diamine (CID 15610190) is 5,15-diethylnonadecane-5,14-diamine.
What is the SMILES notation for 5,15-diethylnonadecane-5,14-diamine?
The canonical SMILES for 5,15-diethylnonadecane-5,14-diamine is CCCCC(CC)C(N)CCCCCCCCC(N)(CC)CCCC.
What is the InChIKey of 5,15-diethylnonadecane-5,14-diamine?
The InChIKey is GUQYMSYVDBHHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2/c1-5-9-17-21(7-3)22(24)18-15-13-11-12-14-16-20-23(25,8-4)19-10-6-2/h21-22H,5-20,24-25H2,1-4H3.
What are the key properties of 5,15-diethylnonadecane-5,14-diamine?
5,15-diethylnonadecane-5,14-diamine has a molecular weight of 354.67 g/mol, XLogP of 6.95, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-diethylnonadecane-5,14-diamine is sourced from PubChem (CID 15610190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).