N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine

C14H31N2+ — CID 143436477

IUPACN-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine
SMILESCCN(C)CCCCC[N+]1(CC)CCCC1
InChIInChI=1S/C14H31N2/c1-4-15(3)11-7-6-8-12-16(5-2)13-9-10-14-16/h4-14H2,1-3H3/q+1
InChIKeySRRCBAIXJXBSOA-UHFFFAOYSA-N
MW227.42 g/mol
LogP2.74
Rot. Bonds8

About N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine

N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine (PubChem CID 143436477) has the molecular formula C14H31N2+ and a molecular weight of 227.42 g/mol. Its IUPAC name is N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine
PubChem CID143436477
Molecular FormulaC14H31N2+
Molecular Weight227.42 g/mol
Exact Mass227.25
IUPAC NameN-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine
SMILESCCN(C)CCCCC[N+]1(CC)CCCC1
InChIInChI=1S/C14H31N2/c1-4-15(3)11-7-6-8-12-16(5-2)13-9-10-14-16/h4-14H2,1-3H3/q+1
InChIKeySRRCBAIXJXBSOA-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-undecylpyrrolidin-1-ium chloride
CID 171571216
1,1-diethylpyrrolidin-1-ium;1-ethyl-1-[6-(1-ethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium;1-ethyl-1-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]piperidin-1-ium
CID 158691923
1-propyl-1-[6-(1-propylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 71247353
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1-nonadecyl-1-octadecylpyrrolidin-1-ium
CID 69388372
1-dodecyl-1-pentylpyrrolidin-1-ium
CID 69392906
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839
1-dodecyl-1-[6-(1-dodecylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 102527529
1-ethyl-1-hexylpyrrolidin-1-ium acetate
CID 171570231
N-ethyl-N-methyltridecan-1-amine
CID 71442842
1-butyl-1-heptadecylpyrrolidin-1-ium
CID 69388710
1,1-dioctylpiperidin-1-ium
CID 23148538

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine?
The IUPAC name of N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine (CID 143436477) is N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine?
The canonical SMILES for N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine is CCN(C)CCCCC[N+]1(CC)CCCC1.
What is the InChIKey of N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine?
The InChIKey is SRRCBAIXJXBSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N2/c1-4-15(3)11-7-6-8-12-16(5-2)13-9-10-14-16/h4-14H2,1-3H3/q+1.
What are the key properties of N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine?
N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1-ethylpyrrolidin-1-ium-1-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 143436477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).