ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane

C13H32N2 — CID 143400696

IUPACethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane
SMILESCC.CCC.CCNC(C)C1CCNC1
InChIInChI=1S/C8H18N2.C3H8.C2H6/c1-3-10-7(2)8-4-5-9-6-8;1-3-2;1-2/h7-10H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyJPHKQCZFZMHHBD-UHFFFAOYSA-N
MW216.41 g/mol
LogP3.04
Rot. Bonds3

About ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane

ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane (PubChem CID 143400696) has the molecular formula C13H32N2 and a molecular weight of 216.41 g/mol. Its IUPAC name is ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane.

Molecular Properties

Compound Nameethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane
PubChem CID143400696
Molecular FormulaC13H32N2
Molecular Weight216.41 g/mol
Exact Mass216.26
IUPAC Nameethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane
SMILESCC.CCC.CCNC(C)C1CCNC1
InChIInChI=1S/C8H18N2.C3H8.C2H6/c1-3-10-7(2)8-4-5-9-6-8;1-3-2;1-2/h7-10H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyJPHKQCZFZMHHBD-UHFFFAOYSA-N
XLogP3.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 10034728
(1S)-N-(2-fluoroethyl)-1-[(3R)-pyrrolidin-3-yl]ethanamine
CID 59526811
N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 70272075
(1R)-N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 15223500
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
N-benzyl-1-pyrrolidin-3-ylethanamine
CID 67740101
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103976958
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
2-cyclopropyl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977089
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane?
The IUPAC name of ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane (CID 143400696) is ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane.
What is the SMILES notation for ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane?
The canonical SMILES for ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane is CC.CCC.CCNC(C)C1CCNC1.
What is the InChIKey of ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane?
The InChIKey is JPHKQCZFZMHHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C3H8.C2H6/c1-3-10-7(2)8-4-5-9-6-8;1-3-2;1-2/h7-10H,3-6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane?
ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane has a molecular weight of 216.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane is sourced from PubChem (CID 143400696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).