N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine

C18H27N — CID 114603534

IUPACN-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C1CCC1)C1CC1C
InChIInChI=1S/C18H27N/c1-3-11-19-18(17-12-13(17)2)16-10-5-4-9-15(16)14-7-6-8-14/h4-5,9-10,13-14,17-19H,3,6-8,11-12H2,1-2H3
InChIKeyVWBDIIDDXQBZRV-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.65
Rot. Bonds6

About N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine

N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 114603534) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
PubChem CID114603534
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C1CCC1)C1CC1C
InChIInChI=1S/C18H27N/c1-3-11-19-18(17-12-13(17)2)16-10-5-4-9-15(16)14-7-6-8-14/h4-5,9-10,13-14,17-19H,3,6-8,11-12H2,1-2H3
InChIKeyVWBDIIDDXQBZRV-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
CID 105052171
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65420429
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648
1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
CID 105052307
N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 114602898
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188961
N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114604169
2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile
CID 79983003

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine (CID 114603534) is N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine is CCCNC(c1ccccc1C1CCC1)C1CC1C.
What is the InChIKey of N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is VWBDIIDDXQBZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-3-11-19-18(17-12-13(17)2)16-10-5-4-9-15(16)14-7-6-8-14/h4-5,9-10,13-14,17-19H,3,6-8,11-12H2,1-2H3.
What are the key properties of N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 114603534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).