4-(3-aminopropyl)oct-4-ene-1,8-diamine

C11H25N3 — CID 20545797

IUPAC4-(3-aminopropyl)oct-4-ene-1,8-diamine
SMILESNCCCC=C(CCCN)CCCN
InChIInChI=1S/C11H25N3/c12-8-2-1-5-11(6-3-9-13)7-4-10-14/h5H,1-4,6-10,12-14H2
InChIKeySCNTZRQMTVPZJJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.13
Rot. Bonds9

About 4-(3-aminopropyl)oct-4-ene-1,8-diamine

4-(3-aminopropyl)oct-4-ene-1,8-diamine (PubChem CID 20545797) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(3-aminopropyl)oct-4-ene-1,8-diamine.

Molecular Properties

Compound Name4-(3-aminopropyl)oct-4-ene-1,8-diamine
PubChem CID20545797
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name4-(3-aminopropyl)oct-4-ene-1,8-diamine
SMILESNCCCC=C(CCCN)CCCN
InChIInChI=1S/C11H25N3/c12-8-2-1-5-11(6-3-9-13)7-4-10-14/h5H,1-4,6-10,12-14H2
InChIKeySCNTZRQMTVPZJJ-UHFFFAOYSA-N
XLogP1.13
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-tridecylidenehexane-1,6-diamine
CID 143379143
(Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine
CID 138538446
(Z)-4-(methoxymethyl)undec-4-en-1-amine
CID 103392101
10-(8-amino-8-oxooctyl)nonadec-9-enediamide
CID 54259378
15-ethylheptadec-14-en-1-amine
CID 171060797
(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine
CID 103392193
5-butyldec-5-ene
CID 15367252
4-(methoxymethyl)non-4-en-8-yn-1-amine
CID 103392158
(E)-5,6,6-trimethylhept-4-en-1-amine
CID 144537430
7-but-3-enylheptadeca-1,7,16-triene
CID 56610542
6-amino-2-methylhex-2-enamide
CID 54113800
(Z)-5-ethyl-1-fluoronon-4-ene
CID 167034526

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)oct-4-ene-1,8-diamine?
The IUPAC name of 4-(3-aminopropyl)oct-4-ene-1,8-diamine (CID 20545797) is 4-(3-aminopropyl)oct-4-ene-1,8-diamine.
What is the SMILES notation for 4-(3-aminopropyl)oct-4-ene-1,8-diamine?
The canonical SMILES for 4-(3-aminopropyl)oct-4-ene-1,8-diamine is NCCCC=C(CCCN)CCCN.
What is the InChIKey of 4-(3-aminopropyl)oct-4-ene-1,8-diamine?
The InChIKey is SCNTZRQMTVPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c12-8-2-1-5-11(6-3-9-13)7-4-10-14/h5H,1-4,6-10,12-14H2.
What are the key properties of 4-(3-aminopropyl)oct-4-ene-1,8-diamine?
4-(3-aminopropyl)oct-4-ene-1,8-diamine has a molecular weight of 199.34 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)oct-4-ene-1,8-diamine is sourced from PubChem (CID 20545797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).