N-(1-propylazetidin-3-yl)formamide

C7H14N2O — CID 131204150

IUPACN-(1-propylazetidin-3-yl)formamide
SMILESCCCN1CC(NC=O)C1
InChIInChI=1S/C7H14N2O/c1-2-3-9-4-7(5-9)8-6-10/h6-7H,2-5H2,1H3,(H,8,10)
InChIKeyRHJYMLPXHSILIB-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds4

About N-(1-propylazetidin-3-yl)formamide

N-(1-propylazetidin-3-yl)formamide (PubChem CID 131204150) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(1-propylazetidin-3-yl)formamide.

Molecular Properties

Compound NameN-(1-propylazetidin-3-yl)formamide
PubChem CID131204150
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(1-propylazetidin-3-yl)formamide
SMILESCCCN1CC(NC=O)C1
InChIInChI=1S/C7H14N2O/c1-2-3-9-4-7(5-9)8-6-10/h6-7H,2-5H2,1H3,(H,8,10)
InChIKeyRHJYMLPXHSILIB-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
N-(1-pentylpiperidin-4-yl)formamide
CID 174935112
3,6-dimethyl-1-propyl-1-azacyclohept-4-yne
CID 143070430
N-methyl-1,5-dipropylpiperidin-3-amine
CID 83989593
ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate
CID 83991501
(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
CID 98070007
(1R,5R)-3-propyl-3-azabicyclo[3.1.1]heptan-6-one
CID 98070002
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272
1-cyclopropyl-2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83991509
1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83991508
5-butyl-N-cyclohexyl-1-propylpiperidin-3-amine
CID 83999048
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235

Frequently Asked Questions

What is the IUPAC name of N-(1-propylazetidin-3-yl)formamide?
The IUPAC name of N-(1-propylazetidin-3-yl)formamide (CID 131204150) is N-(1-propylazetidin-3-yl)formamide.
What is the SMILES notation for N-(1-propylazetidin-3-yl)formamide?
The canonical SMILES for N-(1-propylazetidin-3-yl)formamide is CCCN1CC(NC=O)C1.
What is the InChIKey of N-(1-propylazetidin-3-yl)formamide?
The InChIKey is RHJYMLPXHSILIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-9-4-7(5-9)8-6-10/h6-7H,2-5H2,1H3,(H,8,10).
What are the key properties of N-(1-propylazetidin-3-yl)formamide?
N-(1-propylazetidin-3-yl)formamide has a molecular weight of 142.20 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylazetidin-3-yl)formamide is sourced from PubChem (CID 131204150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).