N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine

C15H30N2 — CID 79408489

IUPACN-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine
SMILESCCC1CCCCN1C(C)C(C)CNC1CC1
InChIInChI=1S/C15H30N2/c1-4-15-7-5-6-10-17(15)13(3)12(2)11-16-14-8-9-14/h12-16H,4-11H2,1-3H3
InChIKeyPPMXFTYAMXQKRK-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds6

About N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine

N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine (PubChem CID 79408489) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine
PubChem CID79408489
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine
SMILESCCC1CCCCN1C(C)C(C)CNC1CC1
InChIInChI=1S/C15H30N2/c1-4-15-7-5-6-10-17(15)13(3)12(2)11-16-14-8-9-14/h12-16H,4-11H2,1-3H3
InChIKeyPPMXFTYAMXQKRK-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylazepan-1-yl)-2-methyl-N-propylbutan-1-amine
CID 113441982
N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
CID 113441989
N-[3-(3-ethylmorpholin-4-yl)-2-methylbutyl]cyclopropanamine
CID 79408501
N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79409085
3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine
CID 104689505
N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
CID 79409298
3-(2-ethylpyrrolidin-1-yl)butan-2-amine
CID 61354577
N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103225163
2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine
CID 104692341
N-[2-(2-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62417609
methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate
CID 79407214
N-[3-(2-ethylpyrrolidin-1-yl)-2-methylpropyl]cyclopropanamine
CID 62438600

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine (CID 79408489) is N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine is CCC1CCCCN1C(C)C(C)CNC1CC1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine?
The InChIKey is PPMXFTYAMXQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-15-7-5-6-10-17(15)13(3)12(2)11-16-14-8-9-14/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine?
N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79408489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).