(Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine

C12H27N3 — CID 155015140

IUPAC(Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine
SMILESCCCCCC/C(N)=C(\C)N(N)C(C)C
InChIInChI=1S/C12H27N3/c1-5-6-7-8-9-12(13)11(4)15(14)10(2)3/h10H,5-9,13-14H2,1-4H3/b12-11-
InChIKeyDOTKLZQANQWRAJ-QXMHVHEDSA-N
MW213.37 g/mol
LogP2.73
Rot. Bonds7

About (Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine

(Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine (PubChem CID 155015140) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is (Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine.

Molecular Properties

Compound Name(Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine
PubChem CID155015140
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name(Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine
SMILESCCCCCC/C(N)=C(\C)N(N)C(C)C
InChIInChI=1S/C12H27N3/c1-5-6-7-8-9-12(13)11(4)15(14)10(2)3/h10H,5-9,13-14H2,1-4H3/b12-11-
InChIKeyDOTKLZQANQWRAJ-QXMHVHEDSA-N
XLogP2.73
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.73
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)-2-[amino(propan-2-yl)amino]non-2-en-3-amine?
The IUPAC name of (Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine (CID 155015140) is (Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine.
What is the SMILES notation for (Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine?
The canonical SMILES for (Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine is CCCCCC/C(N)=C(\C)N(N)C(C)C.
What is the InChIKey of (Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine?
The InChIKey is DOTKLZQANQWRAJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-6-7-8-9-12(13)11(4)15(14)10(2)3/h10H,5-9,13-14H2,1-4H3/b12-11-.
What are the key properties of (Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine?
(Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine has a molecular weight of 213.37 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(propan-2-yl)amino]non-2-en-3-amine is sourced from PubChem (CID 155015140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).