N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine

C20H35N — CID 105050615

IUPACN-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)c1cccc(CC(C)C)c1
InChIInChI=1S/C20H35N/c1-8-21-19(13-16(4)20(5,6)7)18-11-9-10-17(14-18)12-15(2)3/h9-11,14-16,19,21H,8,12-13H2,1-7H3
InChIKeyPAWNMAFYOKUKGM-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.61
Rot. Bonds7

About N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine

N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine (PubChem CID 105050615) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
PubChem CID105050615
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)c1cccc(CC(C)C)c1
InChIInChI=1S/C20H35N/c1-8-21-19(13-16(4)20(5,6)7)18-11-9-10-17(14-18)12-15(2)3/h9-11,14-16,19,21H,8,12-13H2,1-7H3
InChIKeyPAWNMAFYOKUKGM-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715
N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 103029466
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216427
N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 102928317
1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine
CID 116544670
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
[3-methyl-1-[3-(2-methylpropyl)phenyl]pentyl]hydrazine
CID 105340703
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 63832362
N-ethyl-3,4,4-trimethyl-1-quinolin-3-ylpentan-1-amine
CID 115797681
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
The IUPAC name of N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine (CID 105050615) is N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
The canonical SMILES for N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine is CCNC(CC(C)C(C)(C)C)c1cccc(CC(C)C)c1.
What is the InChIKey of N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
The InChIKey is PAWNMAFYOKUKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-8-21-19(13-16(4)20(5,6)7)18-11-9-10-17(14-18)12-15(2)3/h9-11,14-16,19,21H,8,12-13H2,1-7H3.
What are the key properties of N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine is sourced from PubChem (CID 105050615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).