N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine

C29H46N2O — CID 157360031

IUPACN-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine
SMILESC.CC(C)c1ccc(NC2CCCCC2)cc1.CC(C)c1ccc(NC2CCOC2)cc1
InChIInChI=1S/C15H23N.C13H19NO.CH4/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-10(2)11-3-5-12(6-4-11)14-13-7-8-15-9-13;/h8-12,14,16H,3-7H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;1H4
InChIKeyBINKSOHQRXYIDL-UHFFFAOYSA-N
MW438.70 g/mol
LogP8.20
Rot. Bonds6

About N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine

N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine (PubChem CID 157360031) has the molecular formula C29H46N2O and a molecular weight of 438.70 g/mol. Its IUPAC name is N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine
PubChem CID157360031
Molecular FormulaC29H46N2O
Molecular Weight438.70 g/mol
Exact Mass438.36
IUPAC NameN-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine
SMILESC.CC(C)c1ccc(NC2CCCCC2)cc1.CC(C)c1ccc(NC2CCOC2)cc1
InChIInChI=1S/C15H23N.C13H19NO.CH4/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-10(2)11-3-5-12(6-4-11)14-13-7-8-15-9-13;/h8-12,14,16H,3-7H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;1H4
InChIKeyBINKSOHQRXYIDL-UHFFFAOYSA-N
XLogP8.20
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide
CID 55200964
N-(3-propan-2-ylphenyl)oxepan-4-amine
CID 65076670
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
4-butan-2-yl-N-cyclopentylaniline
CID 43681058
N-(4-propylphenyl)oxolan-3-amine
CID 63331785
N-cyclopentyl-4-propan-2-ylaniline;N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine;(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine;N-methyl-N-(4-propan-2-ylphenyl)oxan-4-amine;N-(4-propan-2-ylphenyl)oxan-4-amine;N-(4-propan-2-ylphenyl)oxolan-3-amine
CID 159666518
2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol
CID 83824446
N-[4-(methylsulfanylmethyl)phenyl]oxolan-3-amine
CID 115744184
N-(oxonan-4-yl)pyridin-4-amine
CID 57144973
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
4-(oxolan-3-ylamino)benzenecarbothioamide
CID 80714281
5-N-(oxolan-3-yl)pyridine-2,5-diamine
CID 80717069

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine?
The IUPAC name of N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine (CID 157360031) is N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine.
What is the SMILES notation for N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine?
The canonical SMILES for N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine is C.CC(C)c1ccc(NC2CCCCC2)cc1.CC(C)c1ccc(NC2CCOC2)cc1.
What is the InChIKey of N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine?
The InChIKey is BINKSOHQRXYIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C13H19NO.CH4/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-10(2)11-3-5-12(6-4-11)14-13-7-8-15-9-13;/h8-12,14,16H,3-7H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;1H4.
What are the key properties of N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine?
N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine has a molecular weight of 438.70 g/mol, XLogP of 8.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine is sourced from PubChem (CID 157360031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).