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

C17H29N — CID 55195456

IUPACN-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C17H29N/c1-6-7-16(13-18-17(3,4)5)12-15-10-8-14(2)9-11-15/h8-11,16,18H,6-7,12-13H2,1-5H3
InChIKeyCGPWOIDEBQZZNN-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.34
Rot. Bonds6

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

N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine (PubChem CID 55195456) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
PubChem CID55195456
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C17H29N/c1-6-7-16(13-18-17(3,4)5)12-15-10-8-14(2)9-11-15/h8-11,16,18H,6-7,12-13H2,1-5H3
InChIKeyCGPWOIDEBQZZNN-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62514690
N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 82925737
N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 63496756
N-tert-butyl-2-(furan-2-ylmethyl)pentan-1-amine
CID 62998488
N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
CID 81018614
tert-butyl-dimethyl-[(4S)-4-[(4-methylphenyl)methyl]heptoxy]silane
CID 134955294
N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine
CID 65180744
N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 82870831
N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 82925740

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine (CID 55195456) is N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine is CCCC(CNC(C)(C)C)Cc1ccc(C)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
The InChIKey is CGPWOIDEBQZZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-7-16(13-18-17(3,4)5)12-15-10-8-14(2)9-11-15/h8-11,16,18H,6-7,12-13H2,1-5H3.
What are the key properties of N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 55195456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).