2-aminoacetamide;1-chloropentane

C7H17ClN2O — CID 175317095

IUPAC2-aminoacetamide;1-chloropentane
SMILESCCCCCCl.NCC(N)=O
InChIInChI=1S/C5H11Cl.C2H6N2O/c1-2-3-4-5-6;3-1-2(4)5/h2-5H2,1H3;1,3H2,(H2,4,5)
InChIKeyQOMHLYLHWDLGHT-UHFFFAOYSA-N
MW180.68 g/mol
LogP0.85
Rot. Bonds4

About 2-aminoacetamide;1-chloropentane

2-aminoacetamide;1-chloropentane (PubChem CID 175317095) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is 2-aminoacetamide;1-chloropentane.

Molecular Properties

Compound Name2-aminoacetamide;1-chloropentane
PubChem CID175317095
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name2-aminoacetamide;1-chloropentane
SMILESCCCCCCl.NCC(N)=O
InChIInChI=1S/C5H11Cl.C2H6N2O/c1-2-3-4-5-6;3-1-2(4)5/h2-5H2,1H3;1,3H2,(H2,4,5)
InChIKeyQOMHLYLHWDLGHT-UHFFFAOYSA-N
XLogP0.85
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloropentane;propan-2-one
CID 174417344
1-chloropentane;ethane-1,2-diamine
CID 174805290
1-chloropentane;oxozinc
CID 175453062
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
12-chlorododecan-6-one
CID 162712835
acetyl acetate;1-chloropentane
CID 174369574
1-chloropentacosan-7-one
CID 162712808

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetamide;1-chloropentane?
The IUPAC name of 2-aminoacetamide;1-chloropentane (CID 175317095) is 2-aminoacetamide;1-chloropentane.
What is the SMILES notation for 2-aminoacetamide;1-chloropentane?
The canonical SMILES for 2-aminoacetamide;1-chloropentane is CCCCCCl.NCC(N)=O.
What is the InChIKey of 2-aminoacetamide;1-chloropentane?
The InChIKey is QOMHLYLHWDLGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C2H6N2O/c1-2-3-4-5-6;3-1-2(4)5/h2-5H2,1H3;1,3H2,(H2,4,5).
What are the key properties of 2-aminoacetamide;1-chloropentane?
2-aminoacetamide;1-chloropentane has a molecular weight of 180.68 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetamide;1-chloropentane is sourced from PubChem (CID 175317095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).