N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine

C17H27N — CID 139724022

IUPACN-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
SMILESCC(C)(C)N(CC=Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H27N/c1-16(2,3)18(17(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-13H,14H2,1-6H3
InChIKeyROCLTVVWMCELDE-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.60
Rot. Bonds3

About N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine

N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine (PubChem CID 139724022) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
PubChem CID139724022
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
SMILESCC(C)(C)N(CC=Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H27N/c1-16(2,3)18(17(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-13H,14H2,1-6H3
InChIKeyROCLTVVWMCELDE-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine
CID 139723503
N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride
CID 173290020
1,2-dimethyl-1-[(E)-3-phenylprop-2-enyl]hydrazine
CID 137382786
N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 122392912
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 10702807
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846
3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 3462468
benzene;but-1-enylbenzene
CID 157481332
N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline
CID 164888002
N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
CID 57094572

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine?
The IUPAC name of N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine (CID 139724022) is N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine?
The canonical SMILES for N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine is CC(C)(C)N(CC=Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine?
The InChIKey is ROCLTVVWMCELDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-16(2,3)18(17(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-13H,14H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine?
N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine is sourced from PubChem (CID 139724022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).