N-butan-2-yl-4,4-dimethylhex-1-en-3-amine

C12H25N — CID 89226714

IUPACN-butan-2-yl-4,4-dimethylhex-1-en-3-amine
SMILESC=CC(NC(C)CC)C(C)(C)CC
InChIInChI=1S/C12H25N/c1-7-10(4)13-11(8-2)12(5,6)9-3/h8,10-11,13H,2,7,9H2,1,3-6H3
InChIKeyMJSGEMOJNYLPBN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds6

About N-butan-2-yl-4,4-dimethylhex-1-en-3-amine

N-butan-2-yl-4,4-dimethylhex-1-en-3-amine (PubChem CID 89226714) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-butan-2-yl-4,4-dimethylhex-1-en-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-4,4-dimethylhex-1-en-3-amine
PubChem CID89226714
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-butan-2-yl-4,4-dimethylhex-1-en-3-amine
SMILESC=CC(NC(C)CC)C(C)(C)CC
InChIInChI=1S/C12H25N/c1-7-10(4)13-11(8-2)12(5,6)9-3/h8,10-11,13H,2,7,9H2,1,3-6H3
InChIKeyMJSGEMOJNYLPBN-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4,4-dimethylhex-1-en-3-amine?
The IUPAC name of N-butan-2-yl-4,4-dimethylhex-1-en-3-amine (CID 89226714) is N-butan-2-yl-4,4-dimethylhex-1-en-3-amine.
What is the SMILES notation for N-butan-2-yl-4,4-dimethylhex-1-en-3-amine?
The canonical SMILES for N-butan-2-yl-4,4-dimethylhex-1-en-3-amine is C=CC(NC(C)CC)C(C)(C)CC.
What is the InChIKey of N-butan-2-yl-4,4-dimethylhex-1-en-3-amine?
The InChIKey is MJSGEMOJNYLPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-7-10(4)13-11(8-2)12(5,6)9-3/h8,10-11,13H,2,7,9H2,1,3-6H3.
What are the key properties of N-butan-2-yl-4,4-dimethylhex-1-en-3-amine?
N-butan-2-yl-4,4-dimethylhex-1-en-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4,4-dimethylhex-1-en-3-amine is sourced from PubChem (CID 89226714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).