N'-butyloctadecane-1,18-diamine

C22H48N2 — CID 19427141

IUPACN'-butyloctadecane-1,18-diamine
SMILESCCCCNCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C22H48N2/c1-2-3-21-24-22-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23/h24H,2-23H2,1H3
InChIKeyWUMYKHFVYMCCPB-UHFFFAOYSA-N
MW340.64 g/mol
LogP6.58
Rot. Bonds21

About N'-butyloctadecane-1,18-diamine

N'-butyloctadecane-1,18-diamine (PubChem CID 19427141) has the molecular formula C22H48N2 and a molecular weight of 340.64 g/mol. Its IUPAC name is N'-butyloctadecane-1,18-diamine.

Molecular Properties

Compound NameN'-butyloctadecane-1,18-diamine
PubChem CID19427141
Molecular FormulaC22H48N2
Molecular Weight340.64 g/mol
Exact Mass340.38
IUPAC NameN'-butyloctadecane-1,18-diamine
SMILESCCCCNCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C22H48N2/c1-2-3-21-24-22-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23/h24H,2-23H2,1H3
InChIKeyWUMYKHFVYMCCPB-UHFFFAOYSA-N
XLogP6.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 56.58
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'-pentyltridecane-1,13-diamine
CID 174397381
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
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'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552

Frequently Asked Questions

What is the IUPAC name of N'-butyloctadecane-1,18-diamine?
The IUPAC name of N'-butyloctadecane-1,18-diamine (CID 19427141) is N'-butyloctadecane-1,18-diamine.
What is the SMILES notation for N'-butyloctadecane-1,18-diamine?
The canonical SMILES for N'-butyloctadecane-1,18-diamine is CCCCNCCCCCCCCCCCCCCCCCCN.
What is the InChIKey of N'-butyloctadecane-1,18-diamine?
The InChIKey is WUMYKHFVYMCCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2/c1-2-3-21-24-22-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23/h24H,2-23H2,1H3.
What are the key properties of N'-butyloctadecane-1,18-diamine?
N'-butyloctadecane-1,18-diamine has a molecular weight of 340.64 g/mol, XLogP of 6.58, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyloctadecane-1,18-diamine is sourced from PubChem (CID 19427141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).