N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine

C20H29N — CID 105052171

IUPACN-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C1CCC1)C1CC2CC2C1
InChIInChI=1S/C20H29N/c1-2-10-21-20(17-12-15-11-16(15)13-17)19-9-4-3-8-18(19)14-6-5-7-14/h3-4,8-9,14-17,20-21H,2,5-7,10-13H2,1H3
InChIKeyZTKMSNSNNGWVCS-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.04
Rot. Bonds6

About N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine

N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine (PubChem CID 105052171) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
PubChem CID105052171
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C1CCC1)C1CC2CC2C1
InChIInChI=1S/C20H29N/c1-2-10-21-20(17-12-15-11-16(15)13-17)19-9-4-3-8-18(19)14-6-5-7-14/h3-4,8-9,14-17,20-21H,2,5-7,10-13H2,1H3
InChIKeyZTKMSNSNNGWVCS-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
CID 105052307
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 114603367
N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 114602898
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114604169

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine (CID 105052171) is N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1C1CCC1)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine?
The InChIKey is ZTKMSNSNNGWVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-2-10-21-20(17-12-15-11-16(15)13-17)19-9-4-3-8-18(19)14-6-5-7-14/h3-4,8-9,14-17,20-21H,2,5-7,10-13H2,1H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine?
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105052171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).