5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine

C10H19N3 — CID 146660614

IUPAC5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine
SMILESC=CC/N=C(\C=C(C)C)C(C)(N)N
InChIInChI=1S/C10H19N3/c1-5-6-13-9(7-8(2)3)10(4,11)12/h5,7H,1,6,11-12H2,2-4H3/b13-9+
InChIKeyRWTKNIBIZIQZIZ-UKTHLTGXSA-N
MW181.28 g/mol
LogP1.21
Rot. Bonds4

About 5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine

5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine (PubChem CID 146660614) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine.

Molecular Properties

Compound Name5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine
PubChem CID146660614
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine
SMILESC=CC/N=C(\C=C(C)C)C(C)(N)N
InChIInChI=1S/C10H19N3/c1-5-6-13-9(7-8(2)3)10(4,11)12/h5,7H,1,6,11-12H2,2-4H3/b13-9+
InChIKeyRWTKNIBIZIQZIZ-UKTHLTGXSA-N
XLogP1.21
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine?
The IUPAC name of 5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine (CID 146660614) is 5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine.
What is the SMILES notation for 5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine?
The canonical SMILES for 5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine is C=CC/N=C(\C=C(C)C)C(C)(N)N.
What is the InChIKey of 5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine?
The InChIKey is RWTKNIBIZIQZIZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-6-13-9(7-8(2)3)10(4,11)12/h5,7H,1,6,11-12H2,2-4H3/b13-9+.
What are the key properties of 5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine?
5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-2-enyliminohex-4-ene-2,2-diamine is sourced from PubChem (CID 146660614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).