(4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate

C14H25NO2 — CID 114341373

IUPAC(4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate
SMILESCC1(C)CCC(OC(=O)CCNC2CC2)CC1
InChIInChI=1S/C14H25NO2/c1-14(2)8-5-12(6-9-14)17-13(16)7-10-15-11-3-4-11/h11-12,15H,3-10H2,1-2H3
InChIKeyYNCVTIDCCFVFFO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds5

About (4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate

(4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate (PubChem CID 114341373) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate
PubChem CID114341373
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate
SMILESCC1(C)CCC(OC(=O)CCNC2CC2)CC1
InChIInChI=1S/C14H25NO2/c1-14(2)8-5-12(6-9-14)17-13(16)7-10-15-11-3-4-11/h11-12,15H,3-10H2,1-2H3
InChIKeyYNCVTIDCCFVFFO-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl 3-(cyclopropylamino)propanoate
CID 61278609
tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 113243262
(4,4-dimethylcyclohexyl) 2-hydroxyacetate
CID 131154209
(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate
CID 114341464
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019
2-methoxyethyl 3-(cyclopropylamino)propanoate
CID 61301679
(4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate
CID 114341414
N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
CID 79032428
3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide
CID 65083464
methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
CID 43139776
(4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate
CID 61279656
butyl 3-(cyclopropylamino)propanoate
CID 60649312

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate?
The IUPAC name of (4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate (CID 114341373) is (4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate.
What is the SMILES notation for (4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate?
The canonical SMILES for (4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate is CC1(C)CCC(OC(=O)CCNC2CC2)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate?
The InChIKey is YNCVTIDCCFVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2)8-5-12(6-9-14)17-13(16)7-10-15-11-3-4-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of (4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate?
(4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate has a molecular weight of 239.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate is sourced from PubChem (CID 114341373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).