(Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine

C12H27N3 — CID 156818494

IUPAC(Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine
SMILESCCC(C)C/C(N)=C/NCN(C)C(C)C
InChIInChI=1S/C12H27N3/c1-6-11(4)7-12(13)8-14-9-15(5)10(2)3/h8,10-11,14H,6-7,9,13H2,1-5H3/b12-8-
InChIKeyCGUULAAOBARKMR-WQLSENKSSA-N
MW213.37 g/mol
LogP2.11
Rot. Bonds7

About (Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine

(Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine (PubChem CID 156818494) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is (Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine
PubChem CID156818494
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name(Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine
SMILESCCC(C)C/C(N)=C/NCN(C)C(C)C
InChIInChI=1S/C12H27N3/c1-6-11(4)7-12(13)8-14-9-15(5)10(2)3/h8,10-11,14H,6-7,9,13H2,1-5H3/b12-8-
InChIKeyCGUULAAOBARKMR-WQLSENKSSA-N
XLogP2.11
TPSA41.29 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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine?
The IUPAC name of (Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine (CID 156818494) is (Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine?
The canonical SMILES for (Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine is CCC(C)C/C(N)=C/NCN(C)C(C)C.
What is the InChIKey of (Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine?
The InChIKey is CGUULAAOBARKMR-WQLSENKSSA-N. The full InChI is InChI=1S/C12H27N3/c1-6-11(4)7-12(13)8-14-9-15(5)10(2)3/h8,10-11,14H,6-7,9,13H2,1-5H3/b12-8-.
What are the key properties of (Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine?
(Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-1-N-[[methyl(propan-2-yl)amino]methyl]hex-1-ene-1,2-diamine is sourced from PubChem (CID 156818494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).