N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine

C14H30N2 — CID 107815392

IUPACN-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
SMILESCCCCC(CC)CN1CCC(NCC)C1
InChIInChI=1S/C14H30N2/c1-4-7-8-13(5-2)11-16-10-9-14(12-16)15-6-3/h13-15H,4-12H2,1-3H3
InChIKeyLSJQALFPWZTWRB-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds8

About N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine

N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine (PubChem CID 107815392) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
PubChem CID107815392
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
SMILESCCCCC(CC)CN1CCC(NCC)C1
InChIInChI=1S/C14H30N2/c1-4-7-8-13(5-2)11-16-10-9-14(12-16)15-6-3/h13-15H,4-12H2,1-3H3
InChIKeyLSJQALFPWZTWRB-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-diethyl-1-(2-ethylhexyl)piperidin-4-amine
CID 114507460
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
CID 114499149
3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine
CID 114507677
4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 107818235
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
N,3-diethyl-1-(2-ethylbutyl)piperidin-4-amine
CID 114507419
1-[1-(2-ethylhexyl)piperidin-3-yl]ethanamine
CID 55258928
2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol
CID 153330305
1-butyl-N-ethylpiperidin-4-amine
CID 43314967

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine (CID 107815392) is N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine is CCCCC(CC)CN1CCC(NCC)C1.
What is the InChIKey of N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine?
The InChIKey is LSJQALFPWZTWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-7-8-13(5-2)11-16-10-9-14(12-16)15-6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine?
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine is sourced from PubChem (CID 107815392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).