methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate

C15H29NO2 — CID 43688945

IUPACmethyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate
SMILESCCC1CCC(NC(CC(C)C)C(=O)OC)CC1
InChIInChI=1S/C15H29NO2/c1-5-12-6-8-13(9-7-12)16-14(10-11(2)3)15(17)18-4/h11-14,16H,5-10H2,1-4H3
InChIKeyONWCOGJWRGZWAU-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds6

About methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate

methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate (PubChem CID 43688945) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate
PubChem CID43688945
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate
SMILESCCC1CCC(NC(CC(C)C)C(=O)OC)CC1
InChIInChI=1S/C15H29NO2/c1-5-12-6-8-13(9-7-12)16-14(10-11(2)3)15(17)18-4/h11-14,16H,5-10H2,1-4H3
InChIKeyONWCOGJWRGZWAU-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
CID 79724266
methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate
CID 65086959
methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 61016873
methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate
CID 43688946
2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide
CID 79723960
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
N-(4-ethylcyclohexyl)-2-methoxypropanamide
CID 115588230
methyl 2-[(3-ethylcyclohexyl)amino]hexanoate
CID 103253767
ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
CID 63053623
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
2-[(4-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 43573917

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate (CID 43688945) is methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate is CCC1CCC(NC(CC(C)C)C(=O)OC)CC1.
What is the InChIKey of methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate?
The InChIKey is ONWCOGJWRGZWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-12-6-8-13(9-7-12)16-14(10-11(2)3)15(17)18-4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate?
methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate is sourced from PubChem (CID 43688945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).