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

C11H23N — CID 89195459

IUPACN-butan-2-yl-4,4-dimethylpent-1-en-3-amine
SMILESC=CC(NC(C)CC)C(C)(C)C
InChIInChI=1S/C11H23N/c1-7-9(3)12-10(8-2)11(4,5)6/h8-10,12H,2,7H2,1,3-6H3
InChIKeyLHYURAWLFMQSSP-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds4

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

N-butan-2-yl-4,4-dimethylpent-1-en-3-amine (PubChem CID 89195459) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-butan-2-yl-4,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-4,4-dimethylpent-1-en-3-amine
PubChem CID89195459
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-butan-2-yl-4,4-dimethylpent-1-en-3-amine
SMILESC=CC(NC(C)CC)C(C)(C)C
InChIInChI=1S/C11H23N/c1-7-9(3)12-10(8-2)11(4,5)6/h8-10,12H,2,7H2,1,3-6H3
InChIKeyLHYURAWLFMQSSP-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
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-dimethylpent-1-en-3-amine?
The IUPAC name of N-butan-2-yl-4,4-dimethylpent-1-en-3-amine (CID 89195459) is N-butan-2-yl-4,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for N-butan-2-yl-4,4-dimethylpent-1-en-3-amine?
The canonical SMILES for N-butan-2-yl-4,4-dimethylpent-1-en-3-amine is C=CC(NC(C)CC)C(C)(C)C.
What is the InChIKey of N-butan-2-yl-4,4-dimethylpent-1-en-3-amine?
The InChIKey is LHYURAWLFMQSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-7-9(3)12-10(8-2)11(4,5)6/h8-10,12H,2,7H2,1,3-6H3.
What are the key properties of N-butan-2-yl-4,4-dimethylpent-1-en-3-amine?
N-butan-2-yl-4,4-dimethylpent-1-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 4 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-dimethylpent-1-en-3-amine is sourced from PubChem (CID 89195459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).