1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C14H29NO — CID 62773323

IUPAC1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCNCC1(O)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C14H29NO/c1-5-13(3,4)12-7-9-14(16,10-8-12)11-15-6-2/h12,15-16H,5-11H2,1-4H3
InChIKeySMVAQMRJBNMMMV-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds5

About 1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 62773323) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID62773323
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCNCC1(O)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C14H29NO/c1-5-13(3,4)12-7-9-14(16,10-8-12)11-15-6-2/h12,15-16H,5-11H2,1-4H3
InChIKeySMVAQMRJBNMMMV-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 62773323) is 1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCNCC1(O)CCC(C(C)(C)CC)CC1.
What is the InChIKey of 1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is SMVAQMRJBNMMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-13(3,4)12-7-9-14(16,10-8-12)11-15-6-2/h12,15-16H,5-11H2,1-4H3.
What are the key properties of 1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 62773323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).