methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate

C16H30N2O2 — CID 79650666

IUPACmethyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate
SMILESCCCN(CCC)C1CCC(NC2CC2)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O2/c1-4-10-18(11-5-2)14-8-9-16(12-14,15(19)20-3)17-13-6-7-13/h13-14,17H,4-12H2,1-3H3
InChIKeyXYTVCUIJXCWXII-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.32
Rot. Bonds8

About methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate (PubChem CID 79650666) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate
PubChem CID79650666
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate
SMILESCCCN(CCC)C1CCC(NC2CC2)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O2/c1-4-10-18(11-5-2)14-8-9-16(12-14,15(19)20-3)17-13-6-7-13/h13-14,17H,4-12H2,1-3H3
InChIKeyXYTVCUIJXCWXII-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655576
methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79646396
methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79647441
methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649647
1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646385
methyl 1-(cyclopropylamino)-3-heptoxycyclopentane-1-carboxylate
CID 79646967
methyl 1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636681
1-(cyclopropylamino)-3-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79655109
3-(dipropylamino)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650503
3-(dipropylamino)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650183
methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648737
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate
CID 79626176

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate (CID 79650666) is methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate is CCCN(CCC)C1CCC(NC2CC2)(C(=O)OC)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate?
The InChIKey is XYTVCUIJXCWXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-10-18(11-5-2)14-8-9-16(12-14,15(19)20-3)17-13-6-7-13/h13-14,17H,4-12H2,1-3H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79650666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).