2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine

C16H33N3 — CID 55094514

IUPAC2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CN1CCC(CN(C)C)CC1
InChIInChI=1S/C16H33N3/c1-4-17-16-7-5-6-15(16)13-19-10-8-14(9-11-19)12-18(2)3/h14-17H,4-13H2,1-3H3
InChIKeyRBAXFJCGQRWTMH-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds6

About 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine

2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine (PubChem CID 55094514) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine
PubChem CID55094514
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CN1CCC(CN(C)C)CC1
InChIInChI=1S/C16H33N3/c1-4-17-16-7-5-6-15(16)13-19-10-8-14(9-11-19)12-18(2)3/h14-17H,4-13H2,1-3H3
InChIKeyRBAXFJCGQRWTMH-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-(ethylamino)cyclopentyl]methyl]piperazin-1-yl]ethanol
CID 62616915
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]cycloheptan-1-ol
CID 62610429
2-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 62609502
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine
CID 113336166
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62610035
2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 63495462
1-[[2-(ethylamino)cyclopentyl]methyl]-3-methylpiperidin-4-ol
CID 114681897
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
CID 62614980

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine (CID 55094514) is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine is CCNC1CCCC1CN1CCC(CN(C)C)CC1.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine?
The InChIKey is RBAXFJCGQRWTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-17-16-7-5-6-15(16)13-19-10-8-14(9-11-19)12-18(2)3/h14-17H,4-13H2,1-3H3.
What are the key properties of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine?
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 55094514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).