N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine

C17H25N — CID 63997502

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N/c1-8-17(6,7)18-13(2)14-9-11-15(12-10-14)16(3,4)5/h1,9-13,18H,2-7H3
InChIKeyGCMSLWZGQJYPDZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.05
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine

N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine (PubChem CID 63997502) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine
PubChem CID63997502
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N/c1-8-17(6,7)18-13(2)14-9-11-15(12-10-14)16(3,4)5/h1,9-13,18H,2-7H3
InChIKeyGCMSLWZGQJYPDZ-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine
CID 63999141
N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine
CID 90210200
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylbut-3-yn-2-amine
CID 63998709
N-[1-(4-tert-butylphenyl)ethyl]formamide
CID 64990834
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine
CID 63998523
N-[1-(4-tert-butylphenyl)ethyl]hex-5-yn-1-amine
CID 106209655
N-[1-(4-tert-butylphenyl)ethyl]hex-1-yn-3-amine
CID 106226028
1-(4-tert-butylphenyl)prop-2-ynylhydrazine
CID 105315640
5-methyl-2-[1-(2-methylbut-3-yn-2-ylamino)ethyl]phenol
CID 63999485
1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene
CID 23055665
N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine
CID 63999954
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine (CID 63997502) is N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine is C#CC(C)(C)NC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine?
The InChIKey is GCMSLWZGQJYPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-8-17(6,7)18-13(2)14-9-11-15(12-10-14)16(3,4)5/h1,9-13,18H,2-7H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine?
N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 63997502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).