(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine

C13H29N3 — CID 143907009

IUPAC(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine
SMILESCCCCCC/C(N)=C/N(N)CCC(C)C
InChIInChI=1S/C13H29N3/c1-4-5-6-7-8-13(14)11-16(15)10-9-12(2)3/h11-12H,4-10,14-15H2,1-3H3/b13-11-
InChIKeyPJDFZZVMBLZNTL-QBFSEMIESA-N
MW227.40 g/mol
LogP2.98
Rot. Bonds9

About (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine

(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine (PubChem CID 143907009) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine
PubChem CID143907009
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine
SMILESCCCCCC/C(N)=C/N(N)CCC(C)C
InChIInChI=1S/C13H29N3/c1-4-5-6-7-8-13(14)11-16(15)10-9-12(2)3/h11-12H,4-10,14-15H2,1-3H3/b13-11-
InChIKeyPJDFZZVMBLZNTL-QBFSEMIESA-N
XLogP2.98
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine
CID 145052913
(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane
CID 171532216
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417
1-hexyl-1-(3-methylbutyl)urea
CID 173062711
(E)-dec-1-ene-1,2-diamine
CID 87327630
(Z)-4-[amino-(6-cyclobutylidene-6-undecan-6-yloxyhexyl)amino]but-3-ene-1,3-diamine
CID 177012712
hydroxylamine;2-methylnonadecane
CID 87902402
azane;2-methyloctadecane
CID 175414560
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
(Z)-dodec-3-en-4-amine
CID 21249690
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine (CID 143907009) is (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine is CCCCCC/C(N)=C/N(N)CCC(C)C.
What is the InChIKey of (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine?
The InChIKey is PJDFZZVMBLZNTL-QBFSEMIESA-N. The full InChI is InChI=1S/C13H29N3/c1-4-5-6-7-8-13(14)11-16(15)10-9-12(2)3/h11-12H,4-10,14-15H2,1-3H3/b13-11-.
What are the key properties of (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine?
(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine has a molecular weight of 227.40 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine is sourced from PubChem (CID 143907009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).