4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate

C14H27NO2 — CID 79524651

IUPAC4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESCC(C)CC(C)OC(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H27NO2/c1-10(2)8-11(3)17-14(16)13-6-4-12(9-15)5-7-13/h10-13H,4-9,15H2,1-3H3
InChIKeyUNFIOKNCLQAHLF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.73
Rot. Bonds5

About 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate

4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate (PubChem CID 79524651) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate
PubChem CID79524651
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESCC(C)CC(C)OC(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H27NO2/c1-10(2)8-11(3)17-14(16)13-6-4-12(9-15)5-7-13/h10-13H,4-9,15H2,1-3H3
InChIKeyUNFIOKNCLQAHLF-UHFFFAOYSA-N
XLogP2.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-[4-(aminomethyl)cyclohexyl]-4-methylpentan-1-one
CID 139632944
4-methylpentan-2-yl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59735617
tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23444208
propyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79524646
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79526964
(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79527272
cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323858
propan-2-yl cyclopropanecarboxylate
CID 550170
cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525375
cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525664
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 104563304
[2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23200994

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate (CID 79524651) is 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate is CC(C)CC(C)OC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate?
The InChIKey is UNFIOKNCLQAHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)8-11(3)17-14(16)13-6-4-12(9-15)5-7-13/h10-13H,4-9,15H2,1-3H3.
What are the key properties of 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate?
4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 4-(aminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79524651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).