ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate

C17H34N2O2 — CID 64726602

IUPACethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
SMILESCCCN(CCC)C(C)CC(C)(NC1CC1)C(=O)OCC
InChIInChI=1S/C17H34N2O2/c1-6-11-19(12-7-2)14(4)13-17(5,16(20)21-8-3)18-15-9-10-15/h14-15,18H,6-13H2,1-5H3
InChIKeyRCALJYAHJAUBKT-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.96
Rot. Bonds11

About ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate

ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate (PubChem CID 64726602) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
PubChem CID64726602
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
SMILESCCCN(CCC)C(C)CC(C)(NC1CC1)C(=O)OCC
InChIInChI=1S/C17H34N2O2/c1-6-11-19(12-7-2)14(4)13-17(5,16(20)21-8-3)18-15-9-10-15/h14-15,18H,6-13H2,1-5H3
InChIKeyRCALJYAHJAUBKT-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate
CID 64711612
methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
CID 64727139
ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate
CID 82735009
ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
CID 102984149
ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64710237
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
ethyl 2-(cyclopropylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate
CID 107755269
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate
CID 102984108
ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate
CID 64725654

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate (CID 64726602) is ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate is CCCN(CCC)C(C)CC(C)(NC1CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate?
The InChIKey is RCALJYAHJAUBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-11-19(12-7-2)14(4)13-17(5,16(20)21-8-3)18-15-9-10-15/h14-15,18H,6-13H2,1-5H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate?
ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate has a molecular weight of 298.47 g/mol, XLogP of 2.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate is sourced from PubChem (CID 64726602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).