1-butylimidazolidine

C7H16N2 — CID 19604048

IUPAC1-butylimidazolidine
SMILESCCCCN1CCNC1
InChIInChI=1S/C7H16N2/c1-2-3-5-9-6-4-8-7-9/h8H,2-7H2,1H3
InChIKeyPVYDJRHPECQXDP-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.65
Rot. Bonds3

About 1-butylimidazolidine

1-butylimidazolidine (PubChem CID 19604048) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-butylimidazolidine.

Molecular Properties

Compound Name1-butylimidazolidine
PubChem CID19604048
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-butylimidazolidine
SMILESCCCCN1CCNC1
InChIInChI=1S/C7H16N2/c1-2-3-5-9-6-4-8-7-9/h8H,2-7H2,1H3
InChIKeyPVYDJRHPECQXDP-UHFFFAOYSA-N
XLogP0.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-2-imidazolidinethione
CID 3034160
Methyl(2-(pyrrolidin-1-yl)ethyl)amine
CID 295976
Imidazolidine, 4,4-dimethyl-1-isopropyl-
CID 46538
N-(2-(Imidazolidin-1-yl)ethyl)ethylenediamine
CID 111567
N-Ethyl-2-Pyrrolidin-1-Ylethanamine
CID 15113276
Propyl[2-(pyrrolidin-1-yl)ethyl]amine
CID 15113277
1-Ethylimidazolidine
CID 22466025
2-Methylimidazolidine
CID 5255485
Trimethylimidazolidine
CID 17895931
1-Methylimidazolidin-3-ium
CID 18172752
1-Methylimidazolidine
CID 18172753
2,2,5,5-Tetramethylimidazoline
CID 18547251

Frequently Asked Questions

What is the IUPAC name of 1-butylimidazolidine?
The IUPAC name of 1-butylimidazolidine (CID 19604048) is 1-butylimidazolidine.
What is the SMILES notation for 1-butylimidazolidine?
The canonical SMILES for 1-butylimidazolidine is CCCCN1CCNC1.
What is the InChIKey of 1-butylimidazolidine?
The InChIKey is PVYDJRHPECQXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-2-3-5-9-6-4-8-7-9/h8H,2-7H2,1H3.
What are the key properties of 1-butylimidazolidine?
1-butylimidazolidine has a molecular weight of 128.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylimidazolidine is sourced from PubChem (CID 19604048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).