2-(4-tert-butylphenyl)-N-propylpentan-3-amine

C18H31N — CID 79307383

IUPAC2-(4-tert-butylphenyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31N/c1-7-13-19-17(8-2)14(3)15-9-11-16(12-10-15)18(4,5)6/h9-12,14,17,19H,7-8,13H2,1-6H3
InChIKeyNJRJKVJUFWNNAZ-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.87
Rot. Bonds6

About 2-(4-tert-butylphenyl)-N-propylpentan-3-amine

2-(4-tert-butylphenyl)-N-propylpentan-3-amine (PubChem CID 79307383) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-propylpentan-3-amine
PubChem CID79307383
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-(4-tert-butylphenyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31N/c1-7-13-19-17(8-2)14(3)15-9-11-16(12-10-15)18(4,5)6/h9-12,14,17,19H,7-8,13H2,1-6H3
InChIKeyNJRJKVJUFWNNAZ-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine
CID 79308290
1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
CID 116715912
N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63560932
2-(4-tert-butylphenyl)-2-(propylamino)ethanol
CID 61054986
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764
1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol
CID 82313635
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
2-(4-bromophenyl)-N-ethylpentan-3-amine
CID 79308085
3-(4-tert-butylphenyl)-N-propylbutan-1-amine
CID 81020319
1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644553
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-propylpentan-3-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-N-propylpentan-3-amine (CID 79307383) is 2-(4-tert-butylphenyl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-propylpentan-3-amine is CCCNC(CC)C(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-propylpentan-3-amine?
The InChIKey is NJRJKVJUFWNNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-7-13-19-17(8-2)14(3)15-9-11-16(12-10-15)18(4,5)6/h9-12,14,17,19H,7-8,13H2,1-6H3.
What are the key properties of 2-(4-tert-butylphenyl)-N-propylpentan-3-amine?
2-(4-tert-butylphenyl)-N-propylpentan-3-amine has a molecular weight of 261.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-propylpentan-3-amine is sourced from PubChem (CID 79307383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).