N-(azocan-5-yl)-N-methylformamide

C9H18N2O — CID 143070337

IUPACN-(azocan-5-yl)-N-methylformamide
SMILESCN(C=O)C1CCCNCCC1
InChIInChI=1S/C9H18N2O/c1-11(8-12)9-4-2-6-10-7-3-5-9/h8-10H,2-7H2,1H3
InChIKeyGUJQDOXZLNOLLN-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds2

About N-(azocan-5-yl)-N-methylformamide

N-(azocan-5-yl)-N-methylformamide (PubChem CID 143070337) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(azocan-5-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(azocan-5-yl)-N-methylformamide
PubChem CID143070337
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(azocan-5-yl)-N-methylformamide
SMILESCN(C=O)C1CCCNCCC1
InChIInChI=1S/C9H18N2O/c1-11(8-12)9-4-2-6-10-7-3-5-9/h8-10H,2-7H2,1H3
InChIKeyGUJQDOXZLNOLLN-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
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

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N-methoxy-N-methylazepan-4-amine
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(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
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CID 105428076
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
N-methyl-N-(3-methylcyclobutyl)azepan-4-amine
CID 107172184
N-methyl-N-piperidin-3-ylmethanesulfonamide
CID 54595457
N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-(azocan-5-yl)-N-methylformamide?
The IUPAC name of N-(azocan-5-yl)-N-methylformamide (CID 143070337) is N-(azocan-5-yl)-N-methylformamide.
What is the SMILES notation for N-(azocan-5-yl)-N-methylformamide?
The canonical SMILES for N-(azocan-5-yl)-N-methylformamide is CN(C=O)C1CCCNCCC1.
What is the InChIKey of N-(azocan-5-yl)-N-methylformamide?
The InChIKey is GUJQDOXZLNOLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(8-12)9-4-2-6-10-7-3-5-9/h8-10H,2-7H2,1H3.
What are the key properties of N-(azocan-5-yl)-N-methylformamide?
N-(azocan-5-yl)-N-methylformamide has a molecular weight of 170.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azocan-5-yl)-N-methylformamide is sourced from PubChem (CID 143070337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).