2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine

C11H21N — CID 130277948

IUPAC2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine
SMILESC=C(C)/N=C(\C(C)C)C(C)CC
InChIInChI=1S/C11H21N/c1-7-10(6)11(8(2)3)12-9(4)5/h8,10H,4,7H2,1-3,5-6H3/b12-11+
InChIKeyINVOMBAECAQQIM-VAWYXSNFSA-N
MW167.30 g/mol
LogP3.66
Rot. Bonds4

About 2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine

2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine (PubChem CID 130277948) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine.

Molecular Properties

Compound Name2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine
PubChem CID130277948
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine
SMILESC=C(C)/N=C(\C(C)C)C(C)CC
InChIInChI=1S/C11H21N/c1-7-10(6)11(8(2)3)12-9(4)5/h8,10H,4,7H2,1-3,5-6H3/b12-11+
InChIKeyINVOMBAECAQQIM-VAWYXSNFSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine?
The IUPAC name of 2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine (CID 130277948) is 2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine.
What is the SMILES notation for 2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine?
The canonical SMILES for 2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine is C=C(C)/N=C(\C(C)C)C(C)CC.
What is the InChIKey of 2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine?
The InChIKey is INVOMBAECAQQIM-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N/c1-7-10(6)11(8(2)3)12-9(4)5/h8,10H,4,7H2,1-3,5-6H3/b12-11+.
What are the key properties of 2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine?
2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine has a molecular weight of 167.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine is sourced from PubChem (CID 130277948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).