1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine

C17H38N2 — CID 142420911

IUPAC1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine
SMILESCC.CC(C)(C)CN1CCC1.CCCN1CCCC1
InChIInChI=1S/C8H17N.C7H15N.C2H6/c1-8(2,3)7-9-5-4-6-9;1-2-5-8-6-3-4-7-8;1-2/h4-7H2,1-3H3;2-7H2,1H3;1-2H3
InChIKeyVRXSATJGOSSQKC-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.26
Rot. Bonds3

About 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine

1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine (PubChem CID 142420911) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine
PubChem CID142420911
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine
SMILESCC.CC(C)(C)CN1CCC1.CCCN1CCCC1
InChIInChI=1S/C8H17N.C7H15N.C2H6/c1-8(2,3)7-9-5-4-6-9;1-2-5-8-6-3-4-7-8;1-2/h4-7H2,1-3H3;2-7H2,1H3;1-2H3
InChIKeyVRXSATJGOSSQKC-UHFFFAOYSA-N
XLogP4.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine 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-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
1-(2,2-dimethylpropyl)azocane
CID 131007399
1-propylpyrrolidine;hydrobromide
CID 173024709
1-propyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 176694162
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
1,3-bis(2,2-dimethylpropyl)-1,3-diazepane
CID 102582052
methanol;1-propylpiperidine
CID 171515121
1-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidin-3-amine;(3S)-1-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidin-3-amine;(3R)-1-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidin-3-amine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-propylpiperazine
CID 165017390
prop-1-ene;1-propylpyrrolidine
CID 143531885
1-butylazetidine;ethane
CID 143628082
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
butane;2-methylbutane;1-propylpyrrolidine
CID 161374210

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine?
The IUPAC name of 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine (CID 142420911) is 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine is CC.CC(C)(C)CN1CCC1.CCCN1CCCC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine?
The InChIKey is VRXSATJGOSSQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H15N.C2H6/c1-8(2,3)7-9-5-4-6-9;1-2-5-8-6-3-4-7-8;1-2/h4-7H2,1-3H3;2-7H2,1H3;1-2H3.
What are the key properties of 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine?
1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine has a molecular weight of 270.50 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine is sourced from PubChem (CID 142420911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).