1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine

C18H31N — CID 43125390

IUPAC1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
SMILESCCCCCC(N)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H31N/c1-6-7-8-9-18(19)16-11-10-15(13(2)3)12-17(16)14(4)5/h10-14,18H,6-9,19H2,1-5H3
InChIKeyTVZSVRXQYRMPRD-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.51
Rot. Bonds7

About 1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine

1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine (PubChem CID 43125390) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
PubChem CID43125390
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
SMILESCCCCCC(N)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H31N/c1-6-7-8-9-18(19)16-11-10-15(13(2)3)12-17(16)14(4)5/h10-14,18H,6-9,19H2,1-5H3
InChIKeyTVZSVRXQYRMPRD-UHFFFAOYSA-N
XLogP5.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.51
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

1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381
1-(1-bromoheptyl)-2,4-di(propan-2-yl)benzene
CID 114753582
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
CID 171211984
1-(2-propan-2-ylphenyl)pentan-1-amine
CID 171922235
(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride
CID 171231590
methyl 5-amino-5-[2,4-di(propan-2-yl)phenyl]pentanoate
CID 60860655
4-(1-aminooctyl)aniline
CID 137458153
1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene
CID 82990050
2-[2-amino-2-[2,4-di(propan-2-yl)phenyl]ethoxy]acetamide
CID 61328573
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine (CID 43125390) is 1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine is CCCCCC(N)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine?
The InChIKey is TVZSVRXQYRMPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-7-8-9-18(19)16-11-10-15(13(2)3)12-17(16)14(4)5/h10-14,18H,6-9,19H2,1-5H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine?
1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine is sourced from PubChem (CID 43125390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).