1-(4-tert-butylphenyl)-N-methylpentan-1-amine

C16H27N — CID 43484403

IUPAC1-(4-tert-butylphenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-7-8-15(17-5)13-9-11-14(12-10-13)16(2,3)4/h9-12,15,17H,6-8H2,1-5H3
InChIKeyDFLAZUVMCWNDNR-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.43
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-methylpentan-1-amine

1-(4-tert-butylphenyl)-N-methylpentan-1-amine (PubChem CID 43484403) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methylpentan-1-amine
PubChem CID43484403
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(4-tert-butylphenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-7-8-15(17-5)13-9-11-14(12-10-13)16(2,3)4/h9-12,15,17H,6-8H2,1-5H3
InChIKeyDFLAZUVMCWNDNR-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine
CID 63475997
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
1-(4-tert-butylphenyl)-N-methylhexan-2-amine
CID 79405338
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine
CID 106848917
1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981431

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methylpentan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methylpentan-1-amine (CID 43484403) is 1-(4-tert-butylphenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methylpentan-1-amine is CCCCC(NC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methylpentan-1-amine?
The InChIKey is DFLAZUVMCWNDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-7-8-15(17-5)13-9-11-14(12-10-13)16(2,3)4/h9-12,15,17H,6-8H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methylpentan-1-amine?
1-(4-tert-butylphenyl)-N-methylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 43484403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).