(3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate

C16H29NO2 — CID 64815702

IUPAC(3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate
SMILESCC1CC(OC(=O)C2CCCCC2N)CC(C)(C)C1
InChIInChI=1S/C16H29NO2/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h11-14H,4-10,17H2,1-3H3
InChIKeyOYUMKTNWPCNKJM-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.26
Rot. Bonds2

About (3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate

(3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate (PubChem CID 64815702) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Name(3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate
PubChem CID64815702
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate
SMILESCC1CC(OC(=O)C2CCCCC2N)CC(C)(C)C1
InChIInChI=1S/C16H29NO2/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h11-14H,4-10,17H2,1-3H3
InChIKeyOYUMKTNWPCNKJM-UHFFFAOYSA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate?
The IUPAC name of (3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate (CID 64815702) is (3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate.
What is the SMILES notation for (3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate?
The canonical SMILES for (3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate is CC1CC(OC(=O)C2CCCCC2N)CC(C)(C)C1.
What is the InChIKey of (3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate?
The InChIKey is OYUMKTNWPCNKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h11-14H,4-10,17H2,1-3H3.
What are the key properties of (3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate?
(3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 64815702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).