N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine

C13H26N2O — CID 103225163

IUPACN-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
SMILESCCC1CCCN1C(CNC1CC1)COC
InChIInChI=1S/C13H26N2O/c1-3-12-5-4-8-15(12)13(10-16-2)9-14-11-6-7-11/h11-14H,3-10H2,1-2H3
InChIKeyQTCCDWZPGBTYAU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds7

About N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine

N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine (PubChem CID 103225163) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
PubChem CID103225163
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
SMILESCCC1CCCN1C(CNC1CC1)COC
InChIInChI=1S/C13H26N2O/c1-3-12-5-4-8-15(12)13(10-16-2)9-14-11-6-7-11/h11-14H,3-10H2,1-2H3
InChIKeyQTCCDWZPGBTYAU-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
CID 113441989
N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227231
3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
CID 103227164
N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408489
N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine
CID 103226813
4-(2-ethylazepan-1-yl)-5-methoxypentan-1-amine
CID 103392020
3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 103225175
3-methoxy-N-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 103225220
N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226570
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-methoxypropyl]cyclopropanamine
CID 107456388
N-[2-(2,5-dimethylmorpholin-4-yl)-3-methoxypropyl]cyclopropanamine
CID 103225679
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
CID 103227390

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine?
The IUPAC name of N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine (CID 103225163) is N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine is CCC1CCCN1C(CNC1CC1)COC.
What is the InChIKey of N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine?
The InChIKey is QTCCDWZPGBTYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-12-5-4-8-15(12)13(10-16-2)9-14-11-6-7-11/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine?
N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine is sourced from PubChem (CID 103225163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).