N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine

C16H32N2 — CID 83221067

IUPACN-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine
SMILESCCC1CCC(C)N1CCCCCCNC1CC1
InChIInChI=1S/C16H32N2/c1-3-16-11-8-14(2)18(16)13-7-5-4-6-12-17-15-9-10-15/h14-17H,3-13H2,1-2H3
InChIKeyJOVNJJPOHKFIIA-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds9

About N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine

N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine (PubChem CID 83221067) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine
PubChem CID83221067
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine
SMILESCCC1CCC(C)N1CCCCCCNC1CC1
InChIInChI=1S/C16H32N2/c1-3-16-11-8-14(2)18(16)13-7-5-4-6-12-17-15-9-10-15/h14-17H,3-13H2,1-2H3
InChIKeyJOVNJJPOHKFIIA-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60868216
N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 83227887
N-[2-ethyl-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]butyl]cyclopropanamine
CID 83221375
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 79184231
N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine
CID 114540197
N-[4-(3-ethylmorpholin-4-yl)butyl]cyclopropanamine
CID 62432568
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 83222041
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 83221002
methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate
CID 83221112
N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 83220975

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine (CID 83221067) is N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine is CCC1CCC(C)N1CCCCCCNC1CC1.
What is the InChIKey of N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine?
The InChIKey is JOVNJJPOHKFIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-16-11-8-14(2)18(16)13-7-5-4-6-12-17-15-9-10-15/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine?
N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine has a molecular weight of 252.45 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine is sourced from PubChem (CID 83221067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).