octadecane-1,5-diamine

C18H40N2 — CID 154229011

IUPACoctadecane-1,5-diamine
SMILESCCCCCCCCCCCCCC(N)CCCCN
InChIInChI=1S/C18H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(20)16-13-14-17-19/h18H,2-17,19-20H2,1H3
InChIKeyNTKJNYCCFVYZRM-UHFFFAOYSA-N
MW284.53 g/mol
LogP5.14
Rot. Bonds16

About octadecane-1,5-diamine

octadecane-1,5-diamine (PubChem CID 154229011) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is octadecane-1,5-diamine.

Molecular Properties

Compound Nameoctadecane-1,5-diamine
PubChem CID154229011
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Nameoctadecane-1,5-diamine
SMILESCCCCCCCCCCCCCC(N)CCCCN
InChIInChI=1S/C18H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(20)16-13-14-17-19/h18H,2-17,19-20H2,1H3
InChIKeyNTKJNYCCFVYZRM-UHFFFAOYSA-N
XLogP5.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 55.14
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

undecane-1,6-diamine
CID 18419788
nonadecane-1,13-diamine
CID 102135569
dodecane-1,2-diamine;dodecane-1,12-diamine
CID 88743619
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168
pentacosane-1,13,25-triamine
CID 174653759
dodecan-1-amine;dodecan-2-amine
CID 88815564
5-hexyldodecan-1-amine
CID 129015386
9,10-dioctylhenicosan-1-amine
CID 123803716

Frequently Asked Questions

What is the IUPAC name of octadecane-1,5-diamine?
The IUPAC name of octadecane-1,5-diamine (CID 154229011) is octadecane-1,5-diamine.
What is the SMILES notation for octadecane-1,5-diamine?
The canonical SMILES for octadecane-1,5-diamine is CCCCCCCCCCCCCC(N)CCCCN.
What is the InChIKey of octadecane-1,5-diamine?
The InChIKey is NTKJNYCCFVYZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(20)16-13-14-17-19/h18H,2-17,19-20H2,1H3.
What are the key properties of octadecane-1,5-diamine?
octadecane-1,5-diamine has a molecular weight of 284.53 g/mol, XLogP of 5.14, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecane-1,5-diamine is sourced from PubChem (CID 154229011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).