methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate

C17H30N2O2 — CID 79647441

IUPACmethyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(N(CC2CC2)C(C)C)C1
InChIInChI=1S/C17H30N2O2/c1-12(2)19(11-13-4-5-13)15-8-9-17(10-15,16(20)21-3)18-14-6-7-14/h12-15,18H,4-11H2,1-3H3
InChIKeyNQYMVZHMQVSHTO-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.32
Rot. Bonds7

About methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate (PubChem CID 79647441) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate
PubChem CID79647441
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Namemethyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(N(CC2CC2)C(C)C)C1
InChIInChI=1S/C17H30N2O2/c1-12(2)19(11-13-4-5-13)15-8-9-17(10-15,16(20)21-3)18-14-6-7-14/h12-15,18H,4-11H2,1-3H3
InChIKeyNQYMVZHMQVSHTO-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636681
methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79646396
1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclopentane-1-carboxamide
CID 79655102
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655576
methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate
CID 79650666
1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646367
1-(cyclopropylamino)-3-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79655109
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate
CID 79626176
3-[butan-2-yl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79655033
ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate
CID 79645866
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
CID 79648507

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate (CID 79647441) is methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate is COC(=O)C1(NC2CC2)CCC(N(CC2CC2)C(C)C)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate?
The InChIKey is NQYMVZHMQVSHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(2)19(11-13-4-5-13)15-8-9-17(10-15,16(20)21-3)18-14-6-7-14/h12-15,18H,4-11H2,1-3H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate has a molecular weight of 294.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79647441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).