methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate

C17H34N2O2 — CID 79647415

IUPACmethyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCC(N(C)C(C)CC(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-7-10-18-17(16(20)21-6)9-8-15(12-17)19(5)14(4)11-13(2)3/h13-15,18H,7-12H2,1-6H3
InChIKeyGPHGSRXKQNZJRO-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds8

About methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate

methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate (PubChem CID 79647415) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate
PubChem CID79647415
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCC(N(C)C(C)CC(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-7-10-18-17(16(20)21-6)9-8-15(12-17)19(5)14(4)11-13(2)3/h13-15,18H,7-12H2,1-6H3
InChIKeyGPHGSRXKQNZJRO-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79655704
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79654798
methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 81062579
[3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79656145
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655576
ethyl 1-(methylamino)-3-[methyl(4-methylpentan-2-yl)amino]cyclohexane-1-carboxylate
CID 79627851
3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79636826
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649647
methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151
methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649126

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate (CID 79647415) is methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate is CCCNC1(C(=O)OC)CCC(N(C)C(C)CC(C)C)C1.
What is the InChIKey of methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
The InChIKey is GPHGSRXKQNZJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-10-18-17(16(20)21-6)9-8-15(12-17)19(5)14(4)11-13(2)3/h13-15,18H,7-12H2,1-6H3.
What are the key properties of methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79647415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).