(Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine

C11H22N2 — CID 170193886

IUPAC(Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine
SMILESCC/C(CC(C)C)=N\C=C(\C)NC
InChIInChI=1S/C11H22N2/c1-6-11(7-9(2)3)13-8-10(4)12-5/h8-9,12H,6-7H2,1-5H3/b10-8-,13-11+
InChIKeyVRJBZOBRPGFIIX-NGIPKDTLSA-N
MW182.31 g/mol
LogP2.96
Rot. Bonds5

About (Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine

(Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine (PubChem CID 170193886) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine
PubChem CID170193886
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine
SMILESCC/C(CC(C)C)=N\C=C(\C)NC
InChIInChI=1S/C11H22N2/c1-6-11(7-9(2)3)13-8-10(4)12-5/h8-9,12H,6-7H2,1-5H3/b10-8-,13-11+
InChIKeyVRJBZOBRPGFIIX-NGIPKDTLSA-N
XLogP2.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethyl-3-isopentyldihydropyrazine
CID 129715378
(E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine
CID 123975888
(Z)-1-(2-methylpentan-3-ylideneamino)prop-1-en-2-amine
CID 138719703
(Z)-1-[(2-methylcyclohexylidene)amino]prop-1-en-2-amine
CID 141835414
(Z)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-amine
CID 141835419
N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane
CID 142358667
(Z)-1-(3-methylpentan-2-ylideneamino)prop-1-en-2-amine
CID 170225150
N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane
CID 172576071
N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
CID 142358668
N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine
CID 172576072

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine?
The IUPAC name of (Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine (CID 170193886) is (Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine.
What is the SMILES notation for (Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine?
The canonical SMILES for (Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine is CC/C(CC(C)C)=N\C=C(\C)NC.
What is the InChIKey of (Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine?
The InChIKey is VRJBZOBRPGFIIX-NGIPKDTLSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-11(7-9(2)3)13-8-10(4)12-5/h8-9,12H,6-7H2,1-5H3/b10-8-,13-11+.
What are the key properties of (Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine?
(Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine has a molecular weight of 182.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 170193886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).