7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine

C18H25N — CID 105045090

IUPAC7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine
SMILESNC(c1ccc(C2CCC2)cc1)C1C2CCCCC21
InChIInChI=1S/C18H25N/c19-18(17-15-6-1-2-7-16(15)17)14-10-8-13(9-11-14)12-4-3-5-12/h8-12,15-18H,1-7,19H2
InChIKeySEUKMMDPPPKMEV-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.39
Rot. Bonds3

About 7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine

7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine (PubChem CID 105045090) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine
PubChem CID105045090
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine
SMILESNC(c1ccc(C2CCC2)cc1)C1C2CCCCC21
InChIInChI=1S/C18H25N/c19-18(17-15-6-1-2-7-16(15)17)14-10-8-13(9-11-14)12-4-3-5-12/h8-12,15-18H,1-7,19H2
InChIKeySEUKMMDPPPKMEV-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000898
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
(4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine
CID 116506220
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine
CID 105052437
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine
CID 62798687
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine (CID 105045090) is 7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine is NC(c1ccc(C2CCC2)cc1)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine?
The InChIKey is SEUKMMDPPPKMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c19-18(17-15-6-1-2-7-16(15)17)14-10-8-13(9-11-14)12-4-3-5-12/h8-12,15-18H,1-7,19H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine?
7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine has a molecular weight of 255.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105045090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).