N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine

C12H24N2 — CID 90999128

IUPACN-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine
SMILES[H]/N=C(\C)C(C)N(C)C(=C)CC(C)CC
InChIInChI=1S/C12H24N2/c1-7-9(2)8-10(3)14(6)12(5)11(4)13/h9,12-13H,3,7-8H2,1-2,4-6H3/b13-11+
InChIKeyJHGQYUNYJRORNY-ACCUITESSA-N
MW196.34 g/mol
LogP3.30
Rot. Bonds6

About N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine

N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine (PubChem CID 90999128) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine.

Molecular Properties

Compound NameN-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine
PubChem CID90999128
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine
SMILES[H]/N=C(\C)C(C)N(C)C(=C)CC(C)CC
InChIInChI=1S/C12H24N2/c1-7-9(2)8-10(3)14(6)12(5)11(4)13/h9,12-13H,3,7-8H2,1-2,4-6H3/b13-11+
InChIKeyJHGQYUNYJRORNY-ACCUITESSA-N
XLogP3.30
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.30
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

Heptadec-1-en-2-yl-(2-imino-4-methylhexan-3-yl)-methylideneazanium
CID 91022480
2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 123628627
4-imino-N,N,3-trimethylpent-1-en-2-amine
CID 129043603

Frequently Asked Questions

What is the IUPAC name of N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine?
The IUPAC name of N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine (CID 90999128) is N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine.
What is the SMILES notation for N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine?
The canonical SMILES for N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine is [H]/N=C(\C)C(C)N(C)C(=C)CC(C)CC.
What is the InChIKey of N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine?
The InChIKey is JHGQYUNYJRORNY-ACCUITESSA-N. The full InChI is InChI=1S/C12H24N2/c1-7-9(2)8-10(3)14(6)12(5)11(4)13/h9,12-13H,3,7-8H2,1-2,4-6H3/b13-11+.
What are the key properties of N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine?
N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine has a molecular weight of 196.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine is sourced from PubChem (CID 90999128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).