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

C15H30N2O2 — CID 79649533

IUPACmethyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCCCN(C)C1CCC(NC(C)C)(C(=O)OC)C1
InChIInChI=1S/C15H30N2O2/c1-6-7-10-17(4)13-8-9-15(11-13,14(18)19-5)16-12(2)3/h12-13,16H,6-11H2,1-5H3
InChIKeyJGWSFNQZRBYWJU-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds7

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

methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate (PubChem CID 79649533) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
PubChem CID79649533
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCCCN(C)C1CCC(NC(C)C)(C(=O)OC)C1
InChIInChI=1S/C15H30N2O2/c1-6-7-10-17(4)13-8-9-15(11-13,14(18)19-5)16-12(2)3/h12-13,16H,6-11H2,1-5H3
InChIKeyJGWSFNQZRBYWJU-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649647
methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 81062382
methyl 3-[butyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79627274
methyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79635983
3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650033
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79649689
methyl 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxylate
CID 79636650
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 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655524

Frequently Asked Questions

What is the IUPAC name of methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate (CID 79649533) is methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate is CCCCN(C)C1CCC(NC(C)C)(C(=O)OC)C1.
What is the InChIKey of methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The InChIKey is JGWSFNQZRBYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-7-10-17(4)13-8-9-15(11-13,14(18)19-5)16-12(2)3/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).