N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine

C19H27N — CID 116507104

IUPACN-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
SMILESc1cc(C2CCCC2CNC2CC2)ccc1C1CCC1
InChIInChI=1S/C19H27N/c1-3-14(4-1)15-7-9-16(10-8-15)19-6-2-5-17(19)13-20-18-11-12-18/h7-10,14,17-20H,1-6,11-13H2
InChIKeyDPNLAPFBTKVFOS-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.59
Rot. Bonds5

About N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine

N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 116507104) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID116507104
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
SMILESc1cc(C2CCCC2CNC2CC2)ccc1C1CCC1
InChIInChI=1S/C19H27N/c1-3-14(4-1)15-7-9-16(10-8-15)19-6-2-5-17(19)13-20-18-11-12-18/h7-10,14,17-20H,1-6,11-13H2
InChIKeyDPNLAPFBTKVFOS-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025016
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
CID 81024481
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034354
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
N-[[2-(6-methyl-3-pyridinyl)cyclopentyl]methyl]cyclopropanamine
CID 81034690
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-(furan-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81024920
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
CID 116507071
N-[(2-quinolin-7-ylcyclopentyl)methyl]cyclopropanamine
CID 81228417
N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 114523573
N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025221
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine (CID 116507104) is N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine is c1cc(C2CCCC2CNC2CC2)ccc1C1CCC1.
What is the InChIKey of N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is DPNLAPFBTKVFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-3-14(4-1)15-7-9-16(10-8-15)19-6-2-5-17(19)13-20-18-11-12-18/h7-10,14,17-20H,1-6,11-13H2.
What are the key properties of N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 269.43 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 116507104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).