(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine

C12H27N3 — CID 171532217

IUPAC(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine
SMILESCCC/C(N)=C/N(N)CCCCC(C)C
InChIInChI=1S/C12H27N3/c1-4-7-12(13)10-15(14)9-6-5-8-11(2)3/h10-11H,4-9,13-14H2,1-3H3/b12-10-
InChIKeyIHSXALIVCCDITD-BENRWUELSA-N
MW213.37 g/mol
LogP2.59
Rot. Bonds8

About (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine

(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine (PubChem CID 171532217) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine
PubChem CID171532217
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine
SMILESCCC/C(N)=C/N(N)CCCCC(C)C
InChIInChI=1S/C12H27N3/c1-4-7-12(13)10-15(14)9-6-5-8-11(2)3/h10-11H,4-9,13-14H2,1-3H3/b12-10-
InChIKeyIHSXALIVCCDITD-BENRWUELSA-N
XLogP2.59
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine (CID 171532217) is (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine is CCC/C(N)=C/N(N)CCCCC(C)C.
What is the InChIKey of (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine?
The InChIKey is IHSXALIVCCDITD-BENRWUELSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-7-12(13)10-15(14)9-6-5-8-11(2)3/h10-11H,4-9,13-14H2,1-3H3/b12-10-.
What are the key properties of (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine?
(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine has a molecular weight of 213.37 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine is sourced from PubChem (CID 171532217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).