methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate

C16H30N2O2 — CID 63055370

IUPACmethyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate
SMILESCOC(=O)C(CCN(C)C1CCC(C)CC1)NC1CC1
InChIInChI=1S/C16H30N2O2/c1-12-4-8-14(9-5-12)18(2)11-10-15(16(19)20-3)17-13-6-7-13/h12-15,17H,4-11H2,1-3H3
InChIKeyUYFKDHXUHWYPHA-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds7

About methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate

methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate (PubChem CID 63055370) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate
PubChem CID63055370
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate
SMILESCOC(=O)C(CCN(C)C1CCC(C)CC1)NC1CC1
InChIInChI=1S/C16H30N2O2/c1-12-4-8-14(9-5-12)18(2)11-10-15(16(19)20-3)17-13-6-7-13/h12-15,17H,4-11H2,1-3H3
InChIKeyUYFKDHXUHWYPHA-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
2-(ethylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanamide
CID 63054490
2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide
CID 63053076
methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274429
methyl 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-(propylamino)butanoate
CID 63053941
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440
ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63028837
methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
CID 107401182
2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide
CID 82743246
methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate
CID 63041162
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 55158561

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate (CID 63055370) is methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate is COC(=O)C(CCN(C)C1CCC(C)CC1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate?
The InChIKey is UYFKDHXUHWYPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-4-8-14(9-5-12)18(2)11-10-15(16(19)20-3)17-13-6-7-13/h12-15,17H,4-11H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate?
methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate is sourced from PubChem (CID 63055370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).