1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide

C16H31N3O2 — CID 79565147

IUPAC1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN(C)CC1CCCCO1
InChIInChI=1S/C16H31N3O2/c1-18-16(15(17)20)9-5-6-13(16)8-10-19(2)12-14-7-3-4-11-21-14/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyDXTWHPHDMLKLFT-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.12
Rot. Bonds7

About 1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide

1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide (PubChem CID 79565147) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide
PubChem CID79565147
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN(C)CC1CCCCO1
InChIInChI=1S/C16H31N3O2/c1-18-16(15(17)20)9-5-6-13(16)8-10-19(2)12-14-7-3-4-11-21-14/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyDXTWHPHDMLKLFT-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564710
1-(aminomethyl)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentan-1-ol
CID 79587854
1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581156
[1-(ethylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentyl]methanol
CID 79566945
2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573813
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
1-amino-2-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565471
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564236
2-[2-(2-cyclopropylethoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106204227
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563722
2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79577274

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide (CID 79565147) is 1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCN(C)CC1CCCCO1.
What is the InChIKey of 1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide?
The InChIKey is DXTWHPHDMLKLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-18-16(15(17)20)9-5-6-13(16)8-10-19(2)12-14-7-3-4-11-21-14/h13-14,18H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of 1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide?
1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79565147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).