1,3-diethylpyrrolidine;ethane;molecular hydrogen

C10H25N — CID 143628979

IUPAC1,3-diethylpyrrolidine;ethane;molecular hydrogen
SMILESCC.CCC1CCN(CC)C1.[H][H]
InChIInChI=1S/C8H17N.C2H6.H2/c1-3-8-5-6-9(4-2)7-8;1-2;/h8H,3-7H2,1-2H3;1-2H3;1H
InChIKeyKXGJIXZHCICMAQ-UHFFFAOYSA-N
MW159.32 g/mol
LogP3.01
Rot. Bonds2

About 1,3-diethylpyrrolidine;ethane;molecular hydrogen

1,3-diethylpyrrolidine;ethane;molecular hydrogen (PubChem CID 143628979) has the molecular formula C10H25N and a molecular weight of 159.32 g/mol. Its IUPAC name is 1,3-diethylpyrrolidine;ethane;molecular hydrogen.

Molecular Properties

Compound Name1,3-diethylpyrrolidine;ethane;molecular hydrogen
PubChem CID143628979
Molecular FormulaC10H25N
Molecular Weight159.32 g/mol
Exact Mass159.20
IUPAC Name1,3-diethylpyrrolidine;ethane;molecular hydrogen
SMILESCC.CCC1CCN(CC)C1.[H][H]
InChIInChI=1S/C8H17N.C2H6.H2/c1-3-8-5-6-9(4-2)7-8;1-2;/h8H,3-7H2,1-2H3;1-2H3;1H
InChIKeyKXGJIXZHCICMAQ-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-diethylpyrrolidine;ethane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-diethylpyrrolidine;ethane
CID 145103245
1,3-diethylpyrrolidine;formonitrile
CID 175874911
1,4-diethylpiperidine;ethane
CID 143709904
(3-ethylpyrrolidin-1-yl)methanamine
CID 57317446
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
1,4-diethylazepane
CID 67522864
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylpyrrolidine;ethane;molecular hydrogen?
The IUPAC name of 1,3-diethylpyrrolidine;ethane;molecular hydrogen (CID 143628979) is 1,3-diethylpyrrolidine;ethane;molecular hydrogen.
What is the SMILES notation for 1,3-diethylpyrrolidine;ethane;molecular hydrogen?
The canonical SMILES for 1,3-diethylpyrrolidine;ethane;molecular hydrogen is CC.CCC1CCN(CC)C1.[H][H].
What is the InChIKey of 1,3-diethylpyrrolidine;ethane;molecular hydrogen?
The InChIKey is KXGJIXZHCICMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H6.H2/c1-3-8-5-6-9(4-2)7-8;1-2;/h8H,3-7H2,1-2H3;1-2H3;1H.
What are the key properties of 1,3-diethylpyrrolidine;ethane;molecular hydrogen?
1,3-diethylpyrrolidine;ethane;molecular hydrogen has a molecular weight of 159.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylpyrrolidine;ethane;molecular hydrogen is sourced from PubChem (CID 143628979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).