methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate

C14H28N2O2 — CID 79649647

IUPACmethyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCCN(C)C1CCC(NC(C)C)(C(=O)OC)C1
InChIInChI=1S/C14H28N2O2/c1-6-9-16(4)12-7-8-14(10-12,13(17)18-5)15-11(2)3/h11-12,15H,6-10H2,1-5H3
InChIKeyKFJQPOWUZKCCTE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds6

About methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate

methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate (PubChem CID 79649647) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
PubChem CID79649647
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCCN(C)C1CCC(NC(C)C)(C(=O)OC)C1
InChIInChI=1S/C14H28N2O2/c1-6-9-16(4)12-7-8-14(10-12,13(17)18-5)15-11(2)3/h11-12,15H,6-10H2,1-5H3
InChIKeyKFJQPOWUZKCCTE-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649533
methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 81062382
3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650033
methyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79635983
methyl 3-[butyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79627274
methyl 3-(dimethylamino)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79637045
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79655565
methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79650274
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79647875
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate
CID 79650666

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate (CID 79649647) is methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate is CCCN(C)C1CCC(NC(C)C)(C(=O)OC)C1.
What is the InChIKey of methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The InChIKey is KFJQPOWUZKCCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-9-16(4)12-7-8-14(10-12,13(17)18-5)15-11(2)3/h11-12,15H,6-10H2,1-5H3.
What are the key properties of methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).