2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol

C18H29NO — CID 79866520

IUPAC2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
SMILESCc1cc(C)c(CC2(CN)CCC(C)(C)C2O)c(C)c1
InChIInChI=1S/C18H29NO/c1-12-8-13(2)15(14(3)9-12)10-18(11-19)7-6-17(4,5)16(18)20/h8-9,16,20H,6-7,10-11,19H2,1-5H3
InChIKeyXHRFJSHRDQTHET-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.28
Rot. Bonds3

About 2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol

2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol (PubChem CID 79866520) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
PubChem CID79866520
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
SMILESCc1cc(C)c(CC2(CN)CCC(C)(C)C2O)c(C)c1
InChIInChI=1S/C18H29NO/c1-12-8-13(2)15(14(3)9-12)10-18(11-19)7-6-17(4,5)16(18)20/h8-9,16,20H,6-7,10-11,19H2,1-5H3
InChIKeyXHRFJSHRDQTHET-UHFFFAOYSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
CID 65393815
2-(aminomethyl)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79867248
2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855610
2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79865443
2-(aminomethyl)-2-(methoxymethyl)-5,5-dimethylcyclopentan-1-ol
CID 130515088
2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855538
2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855011
2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855155
1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine
CID 82285270
[3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine
CID 65403094
2-(aminomethyl)-2-[(E)-3-chloroprop-2-enyl]-5,5-dimethylcyclopentan-1-ol
CID 130515085
1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
CID 55185820

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol (CID 79866520) is 2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol is Cc1cc(C)c(CC2(CN)CCC(C)(C)C2O)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
The InChIKey is XHRFJSHRDQTHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-8-13(2)15(14(3)9-12)10-18(11-19)7-6-17(4,5)16(18)20/h8-9,16,20H,6-7,10-11,19H2,1-5H3.
What are the key properties of 2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 79866520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).