3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine

C17H27N — CID 103561839

IUPAC3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
SMILESCC(C)c1ccc(CNC2CC(C(C)C)C2)cc1
InChIInChI=1S/C17H27N/c1-12(2)15-7-5-14(6-8-15)11-18-17-9-16(10-17)13(3)4/h5-8,12-13,16-18H,9-11H2,1-4H3
InChIKeyXPAVJTQAWMRXAF-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.33
Rot. Bonds5

About 3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine

3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine (PubChem CID 103561839) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
PubChem CID103561839
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
SMILESCC(C)c1ccc(CNC2CC(C(C)C)C2)cc1
InChIInChI=1S/C17H27N/c1-12(2)15-7-5-14(6-8-15)11-18-17-9-16(10-17)13(3)4/h5-8,12-13,16-18H,9-11H2,1-4H3
InChIKeyXPAVJTQAWMRXAF-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560905
4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine
CID 65083512
1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene
CID 177122881
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine (CID 103561839) is 3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine is CC(C)c1ccc(CNC2CC(C(C)C)C2)cc1.
What is the InChIKey of 3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is XPAVJTQAWMRXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)15-7-5-14(6-8-15)11-18-17-9-16(10-17)13(3)4/h5-8,12-13,16-18H,9-11H2,1-4H3.
What are the key properties of 3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine?
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103561839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).