5-(aminomethyl)dec-8-ene-1,8-diamine

C11H25N3 — CID 141242019

IUPAC5-(aminomethyl)dec-8-ene-1,8-diamine
SMILESCC=C(N)CCC(CN)CCCCN
InChIInChI=1S/C11H25N3/c1-2-11(14)7-6-10(9-13)5-3-4-8-12/h2,10H,3-9,12-14H2,1H3
InChIKeyBEPNJCXLZSWEGI-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.33
Rot. Bonds8

About 5-(aminomethyl)dec-8-ene-1,8-diamine

5-(aminomethyl)dec-8-ene-1,8-diamine (PubChem CID 141242019) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(aminomethyl)dec-8-ene-1,8-diamine.

Molecular Properties

Compound Name5-(aminomethyl)dec-8-ene-1,8-diamine
PubChem CID141242019
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name5-(aminomethyl)dec-8-ene-1,8-diamine
SMILESCC=C(N)CCC(CN)CCCCN
InChIInChI=1S/C11H25N3/c1-2-11(14)7-6-10(9-13)5-3-4-8-12/h2,10H,3-9,12-14H2,1H3
InChIKeyBEPNJCXLZSWEGI-UHFFFAOYSA-N
XLogP1.33
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)dec-8-ene-1,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(aminomethyl)octane-1,8-diamine
CID 86309254
2-ethylundecane-1,11-diamine
CID 118354607
2-prop-2-enylhexane-1,6-diamine
CID 89126683
5-ethyl-8-methylidenedec-9-en-1-amine
CID 140670785
2-hexyloctadecan-1-amine
CID 87546751
(2S)-2-hexyldecan-1-amine
CID 129368307
12-ethyltetradecan-1-amine
CID 87456130
2-dodecylhexadecan-1-amine
CID 23048605
2-butylhexan-1-amine
CID 54041151
5-hexyldodecan-1-amine
CID 129015386
2-propylheptan-1-amine
CID 21267775
(E)-7-methylnon-2-en-3-amine
CID 171817711

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)dec-8-ene-1,8-diamine?
The IUPAC name of 5-(aminomethyl)dec-8-ene-1,8-diamine (CID 141242019) is 5-(aminomethyl)dec-8-ene-1,8-diamine.
What is the SMILES notation for 5-(aminomethyl)dec-8-ene-1,8-diamine?
The canonical SMILES for 5-(aminomethyl)dec-8-ene-1,8-diamine is CC=C(N)CCC(CN)CCCCN.
What is the InChIKey of 5-(aminomethyl)dec-8-ene-1,8-diamine?
The InChIKey is BEPNJCXLZSWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-2-11(14)7-6-10(9-13)5-3-4-8-12/h2,10H,3-9,12-14H2,1H3.
What are the key properties of 5-(aminomethyl)dec-8-ene-1,8-diamine?
5-(aminomethyl)dec-8-ene-1,8-diamine has a molecular weight of 199.34 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)dec-8-ene-1,8-diamine is sourced from PubChem (CID 141242019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).