butane;2-methylbutane;1-propylpyrrolidine

C16H37N — CID 161374210

IUPACbutane;2-methylbutane;1-propylpyrrolidine
SMILESCCC(C)C.CCCC.CCCN1CCCC1
InChIInChI=1S/C7H15N.C5H12.C4H10/c1-2-5-8-6-3-4-7-8;1-4-5(2)3;1-3-4-2/h2-7H2,1H3;5H,4H2,1-3H3;3-4H2,1-2H3
InChIKeyVQWCNNGLDZIAJP-UHFFFAOYSA-N
MW243.48 g/mol
LogP5.35
Rot. Bonds4

About butane;2-methylbutane;1-propylpyrrolidine

butane;2-methylbutane;1-propylpyrrolidine (PubChem CID 161374210) has the molecular formula C16H37N and a molecular weight of 243.48 g/mol. Its IUPAC name is butane;2-methylbutane;1-propylpyrrolidine.

Molecular Properties

Compound Namebutane;2-methylbutane;1-propylpyrrolidine
PubChem CID161374210
Molecular FormulaC16H37N
Molecular Weight243.48 g/mol
Exact Mass243.29
IUPAC Namebutane;2-methylbutane;1-propylpyrrolidine
SMILESCCC(C)C.CCCC.CCCN1CCCC1
InChIInChI=1S/C7H15N.C5H12.C4H10/c1-2-5-8-6-3-4-7-8;1-4-5(2)3;1-3-4-2/h2-7H2,1H3;5H,4H2,1-3H3;3-4H2,1-2H3
InChIKeyVQWCNNGLDZIAJP-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-propylpyrrolidine;hydrobromide
CID 173024709
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
methanol;1-propylpiperidine
CID 171515121
prop-1-ene;1-propylpyrrolidine
CID 143531885
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)
CID 173154701
piperidine;1-propylpiperidine
CID 67843364
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
1-hexylpyrrolidine;propan-2-amine
CID 166169325
1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine
CID 142420911
1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
CID 54953008
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806

Frequently Asked Questions

What is the IUPAC name of butane;2-methylbutane;1-propylpyrrolidine?
The IUPAC name of butane;2-methylbutane;1-propylpyrrolidine (CID 161374210) is butane;2-methylbutane;1-propylpyrrolidine.
What is the SMILES notation for butane;2-methylbutane;1-propylpyrrolidine?
The canonical SMILES for butane;2-methylbutane;1-propylpyrrolidine is CCC(C)C.CCCC.CCCN1CCCC1.
What is the InChIKey of butane;2-methylbutane;1-propylpyrrolidine?
The InChIKey is VQWCNNGLDZIAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C5H12.C4H10/c1-2-5-8-6-3-4-7-8;1-4-5(2)3;1-3-4-2/h2-7H2,1H3;5H,4H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;2-methylbutane;1-propylpyrrolidine?
butane;2-methylbutane;1-propylpyrrolidine has a molecular weight of 243.48 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-methylbutane;1-propylpyrrolidine is sourced from PubChem (CID 161374210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).