N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine

C20H31N — CID 63512101

IUPACN-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(C2(CNC3CC3)CCCCCC2)cc1
InChIInChI=1S/C20H31N/c1-16(2)17-7-9-18(10-8-17)20(15-21-19-11-12-19)13-5-3-4-6-14-20/h7-10,16,19,21H,3-6,11-15H2,1-2H3
InChIKeyILQNWUXMUOAGNK-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.15
Rot. Bonds5

About N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine

N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 63512101) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID63512101
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(C2(CNC3CC3)CCCCCC2)cc1
InChIInChI=1S/C20H31N/c1-16(2)17-7-9-18(10-8-17)20(15-21-19-11-12-19)13-5-3-4-6-14-20/h7-10,16,19,21H,3-6,11-15H2,1-2H3
InChIKeyILQNWUXMUOAGNK-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine
CID 62594253
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928
N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine
CID 62595731
1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene
CID 82083786
1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119780045
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexyl]methyl]cyclopropanamine
CID 62596832
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524
N-[(1-thiophen-2-ylcyclohexyl)methyl]cyclopropanamine
CID 62595162
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine (CID 63512101) is N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine is CC(C)c1ccc(C2(CNC3CC3)CCCCCC2)cc1.
What is the InChIKey of N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is ILQNWUXMUOAGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-16(2)17-7-9-18(10-8-17)20(15-21-19-11-12-19)13-5-3-4-6-14-20/h7-10,16,19,21H,3-6,11-15H2,1-2H3.
What are the key properties of N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine?
N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 285.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 63512101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).