N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine

C18H31N — CID 65305552

IUPACN-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine
SMILESCC(C)c1ccc(CCCCCNC(C)(C)C)cc1
InChIInChI=1S/C18H31N/c1-15(2)17-12-10-16(11-13-17)9-7-6-8-14-19-18(3,4)5/h10-13,15,19H,6-9,14H2,1-5H3
InChIKeyZQZZDTQZYQWPJG-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.91
Rot. Bonds7

About N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine

N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine (PubChem CID 65305552) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine
PubChem CID65305552
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine
SMILESCC(C)c1ccc(CCCCCNC(C)(C)C)cc1
InChIInChI=1S/C18H31N/c1-15(2)17-12-10-16(11-13-17)9-7-6-8-14-19-18(3,4)5/h10-13,15,19H,6-9,14H2,1-5H3
InChIKeyZQZZDTQZYQWPJG-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-6-(4-ethylphenyl)hexan-1-amine
CID 65308895
N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
CID 65308639
N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305501
N-tert-butyl-4-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66260180
N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 71049243
N-tert-butyl-5-(4-propan-2-ylphenyl)pent-3-en-1-amine
CID 79598256
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
N-tert-butyl-4-(6-methyl-3-pyridinyl)butan-1-amine
CID 104823808
4-[4-(tert-butylamino)butyl]benzene-1,2-diol;hydrobromide
CID 71379239
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine (CID 65305552) is N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine is CC(C)c1ccc(CCCCCNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine?
The InChIKey is ZQZZDTQZYQWPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-15(2)17-12-10-16(11-13-17)9-7-6-8-14-19-18(3,4)5/h10-13,15,19H,6-9,14H2,1-5H3.
What are the key properties of N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine?
N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine is sourced from PubChem (CID 65305552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).