N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine

C16H32N2 — CID 83054777

IUPACN-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)N1CCC(C)(CC)CC1
InChIInChI=1S/C16H32N2/c1-4-6-15(13-17-14-7-8-14)18-11-9-16(3,5-2)10-12-18/h14-15,17H,4-13H2,1-3H3
InChIKeyOKLJYQWKIYHDBJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds7

About N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine

N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine (PubChem CID 83054777) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine
PubChem CID83054777
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)N1CCC(C)(CC)CC1
InChIInChI=1S/C16H32N2/c1-4-6-15(13-17-14-7-8-14)18-11-9-16(3,5-2)10-12-18/h14-15,17H,4-13H2,1-3H3
InChIKeyOKLJYQWKIYHDBJ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 83054505
N-[2-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 83043627
N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 83054279
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pentyl]cyclopropanamine
CID 83053975
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005
N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
CID 83054427
2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine
CID 83053930
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-methoxypropyl]cyclopropanamine
CID 107456388
N-[2-(azocan-1-yl)butyl]cyclopropanamine
CID 62419227
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine
CID 114460805
N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine
CID 83055066
N-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226957

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine (CID 83054777) is N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine is CCCC(CNC1CC1)N1CCC(C)(CC)CC1.
What is the InChIKey of N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine?
The InChIKey is OKLJYQWKIYHDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-6-15(13-17-14-7-8-14)18-11-9-16(3,5-2)10-12-18/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine?
N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 83054777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).