1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine

C14H29N3 — CID 115117705

IUPAC1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine
SMILESCN1CCC(CCN(C)C2CCCC2N)CC1
InChIInChI=1S/C14H29N3/c1-16-9-6-12(7-10-16)8-11-17(2)14-5-3-4-13(14)15/h12-14H,3-11,15H2,1-2H3
InChIKeyGBXVRJLMCNTRTE-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds4

About 1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine

1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine (PubChem CID 115117705) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine
PubChem CID115117705
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine
SMILESCN1CCC(CCN(C)C2CCCC2N)CC1
InChIInChI=1S/C14H29N3/c1-16-9-6-12(7-10-16)8-11-17(2)14-5-3-4-13(14)15/h12-14H,3-11,15H2,1-2H3
InChIKeyGBXVRJLMCNTRTE-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
N-(hydrazinylmethyl)-N-methyl-2-(1-methylpiperidin-4-yl)ethanamine
CID 115261373
molecular hydrogen;trans-(1S,2S)-2-N-methyl-2-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
CID 142330056
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 63233108
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267
2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
CID 112663651
3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1,1-dioxothiolane-3,4-diamine
CID 63236844
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine
CID 164652854
2-N-(2-methoxyethyl)-2-N-methylcyclooctane-1,2-diamine
CID 61427471
N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62615296
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine (CID 115117705) is 1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine is CN1CCC(CCN(C)C2CCCC2N)CC1.
What is the InChIKey of 1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine?
The InChIKey is GBXVRJLMCNTRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16-9-6-12(7-10-16)8-11-17(2)14-5-3-4-13(14)15/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine?
1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 115117705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).