nona-1,8-dien-4-amine

C9H17N — CID 116660372

IUPACnona-1,8-dien-4-amine
SMILESC=CCCCC(N)CC=C
InChIInChI=1S/C9H17N/c1-3-5-6-8-9(10)7-4-2/h3-4,9H,1-2,5-8,10H2
InChIKeyYHTOWJXKRAVORN-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds6

About nona-1,8-dien-4-amine

nona-1,8-dien-4-amine (PubChem CID 116660372) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is nona-1,8-dien-4-amine.

Molecular Properties

Compound Namenona-1,8-dien-4-amine
PubChem CID116660372
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namenona-1,8-dien-4-amine
SMILESC=CCCCC(N)CC=C
InChIInChI=1S/C9H17N/c1-3-5-6-8-9(10)7-4-2/h3-4,9H,1-2,5-8,10H2
InChIKeyYHTOWJXKRAVORN-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze nona-1,8-dien-4-amine 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)-octa-1,7-dien-4-amine
CID 124537914
5-aminooct-7-en-1-ol
CID 130023332
(4S)-non-8-en-4-amine
CID 10678342
(4R)-non-8-en-4-amine
CID 10796847
2-methylnon-8-en-4-amine
CID 11829678
octadec-17-ene-1,1-diamine
CID 87111501
nona-1,8-dien-4-ol
CID 14385456
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
(2R)-2-aminohept-6-enoic acid
CID 71352792
4-dodeca-1,11-dien-4-yloxydodeca-1,11-diene
CID 88718946

Frequently Asked Questions

What is the IUPAC name of nona-1,8-dien-4-amine?
The IUPAC name of nona-1,8-dien-4-amine (CID 116660372) is nona-1,8-dien-4-amine.
What is the SMILES notation for nona-1,8-dien-4-amine?
The canonical SMILES for nona-1,8-dien-4-amine is C=CCCCC(N)CC=C.
What is the InChIKey of nona-1,8-dien-4-amine?
The InChIKey is YHTOWJXKRAVORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-6-8-9(10)7-4-2/h3-4,9H,1-2,5-8,10H2.
What are the key properties of nona-1,8-dien-4-amine?
nona-1,8-dien-4-amine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-1,8-dien-4-amine is sourced from PubChem (CID 116660372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).