N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine

C13H26N2 — CID 63133416

IUPACN-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine
SMILESCCN(CC1(CC)CCCNC1)C1CC1
InChIInChI=1S/C13H26N2/c1-3-13(8-5-9-14-10-13)11-15(4-2)12-6-7-12/h12,14H,3-11H2,1-2H3
InChIKeyXWQYFTMSQHBDJI-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds5

About N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine

N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine (PubChem CID 63133416) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine
PubChem CID63133416
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine
SMILESCCN(CC1(CC)CCCNC1)C1CC1
InChIInChI=1S/C13H26N2/c1-3-13(8-5-9-14-10-13)11-15(4-2)12-6-7-12/h12,14H,3-11H2,1-2H3
InChIKeyXWQYFTMSQHBDJI-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133418
N-[(3-ethylpiperidin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 63132980
N-ethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 63142730
N-(2-methylpropyl)-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133310
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine
CID 65010174
N-[[1-(aminomethyl)cyclohexyl]methyl]-N-ethylcyclopropanamine
CID 62261407
N-[(3-ethylpiperidin-3-yl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 63132931
N-[(3-ethylpiperidin-3-yl)methyl]-N-propylpropan-1-amine
CID 63133368
1-cyclopropyl-N-[(3-ethylpiperidin-3-yl)methyl]-N-methylethanamine
CID 63133014
N-[(3-ethylpiperidin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 63133024
N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 63132920
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 63142695

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine (CID 63133416) is N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine is CCN(CC1(CC)CCCNC1)C1CC1.
What is the InChIKey of N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine?
The InChIKey is XWQYFTMSQHBDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-13(8-5-9-14-10-13)11-15(4-2)12-6-7-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine?
N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63133416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).