N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine

C20H35N — CID 63497991

IUPACN-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H35N/c1-15(2)12-18(14-21-20(5,6)7)13-17-8-10-19(11-9-17)16(3)4/h8-11,15-16,18,21H,12-14H2,1-7H3
InChIKeyZNMGUOJJKUDECK-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.40
Rot. Bonds7

About N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine

N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine (PubChem CID 63497991) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
PubChem CID63497991
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H35N/c1-15(2)12-18(14-21-20(5,6)7)13-17-8-10-19(11-9-17)16(3)4/h8-11,15-16,18,21H,12-14H2,1-7H3
InChIKeyZNMGUOJJKUDECK-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497993
N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 82925737
N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 82925740
N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 55196404
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497978
N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine
CID 63497814
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037
2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine
CID 65477138
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine (CID 63497991) is N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine is CC(C)CC(CNC(C)(C)C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The InChIKey is ZNMGUOJJKUDECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-15(2)12-18(14-21-20(5,6)7)13-17-8-10-19(11-9-17)16(3)4/h8-11,15-16,18,21H,12-14H2,1-7H3.
What are the key properties of N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 63497991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).