N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine

C16H25N — CID 79607366

IUPACN-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C16H25N/c1-13-8-6-10-15(12-13)14(2)9-7-11-17-16(3,4)5/h6,8-10,12,17H,7,11H2,1-5H3
InChIKeyHZFZNHGRDAZQMV-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.18
Rot. Bonds4

About N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine

N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine (PubChem CID 79607366) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
PubChem CID79607366
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C16H25N/c1-13-8-6-10-15(12-13)14(2)9-7-11-17-16(3,4)5/h6,8-10,12,17H,7,11H2,1-5H3
InChIKeyHZFZNHGRDAZQMV-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine (CID 79607366) is N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine is CC(=CCCNC(C)(C)C)c1cccc(C)c1.
What is the InChIKey of N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine?
The InChIKey is HZFZNHGRDAZQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-8-6-10-15(12-13)14(2)9-7-11-17-16(3,4)5/h6,8-10,12,17H,7,11H2,1-5H3.
What are the key properties of N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine?
N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 79607366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).