2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine

C18H31N — CID 83138928

IUPAC2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCC(CCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C18H31N/c1-15(2)19-14-17(18(3,4)5)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,9,12-14H2,1-5H3
InChIKeyAWFCBIYMHCBNQL-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.67
Rot. Bonds7

About 2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine

2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine (PubChem CID 83138928) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine
PubChem CID83138928
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCC(CCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C18H31N/c1-15(2)19-14-17(18(3,4)5)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,9,12-14H2,1-5H3
InChIKeyAWFCBIYMHCBNQL-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-N-(2-methylpropyl)-5-phenylpentan-1-amine
CID 83139154
N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine
CID 83139717
[4-(bromomethyl)-5,5-dimethylhexyl]benzene
CID 83141914
2-ethyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 62528968
3,3-dimethyl-2-(2-phenylsulfanylethyl)-N-propan-2-ylbutan-1-amine
CID 83139032
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
CID 114333508
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011
N-(2-methylpropyl)-5-phenyl-2-propan-2-ylpentan-1-amine
CID 63523122

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine (CID 83138928) is 2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine is CC(C)NCC(CCCc1ccccc1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine?
The InChIKey is AWFCBIYMHCBNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-15(2)19-14-17(18(3,4)5)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,9,12-14H2,1-5H3.
What are the key properties of 2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine?
2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 83138928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).