ethane;N-[3-(methylamino)hexyl]formamide

C10H24N2O — CID 142947106

IUPACethane;N-[3-(methylamino)hexyl]formamide
SMILESCC.CCCC(CCNC=O)NC
InChIInChI=1S/C8H18N2O.C2H6/c1-3-4-8(9-2)5-6-10-7-11;1-2/h7-9H,3-6H2,1-2H3,(H,10,11);1-2H3
InChIKeyXNWARZMZBBAJFY-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.54
Rot. Bonds7

About ethane;N-[3-(methylamino)hexyl]formamide

ethane;N-[3-(methylamino)hexyl]formamide (PubChem CID 142947106) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is ethane;N-[3-(methylamino)hexyl]formamide.

Molecular Properties

Compound Nameethane;N-[3-(methylamino)hexyl]formamide
PubChem CID142947106
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Nameethane;N-[3-(methylamino)hexyl]formamide
SMILESCC.CCCC(CCNC=O)NC
InChIInChI=1S/C8H18N2O.C2H6/c1-3-4-8(9-2)5-6-10-7-11;1-2/h7-9H,3-6H2,1-2H3,(H,10,11);1-2H3
InChIKeyXNWARZMZBBAJFY-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxyhexyl)formamide
CID 54084231
N-[1-(methylamino)hexan-3-yl]formamide
CID 142442002
N-(2-formamidopentyl)formamide
CID 174514121
ethane;N-pentylformamide
CID 145350301
N-heptan-4-ylformamide
CID 14473374
ethane;N-(3-hydroxy-3-methylbutyl)formamide;N-methylpropan-2-amine
CID 176960936
N-methylundecan-4-amine
CID 60996531
N-[4-(methylamino)pentyl]formamide
CID 153396942
ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine
CID 142059554
N-[2-[(1S)-1-hydroxybutoxy]ethyl]formamide
CID 118214490
N-[2-[2-(propylamino)ethylamino]ethyl]formamide
CID 150221110
N-(3,3-dibromopropyl)formamide
CID 118574416

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-(methylamino)hexyl]formamide?
The IUPAC name of ethane;N-[3-(methylamino)hexyl]formamide (CID 142947106) is ethane;N-[3-(methylamino)hexyl]formamide.
What is the SMILES notation for ethane;N-[3-(methylamino)hexyl]formamide?
The canonical SMILES for ethane;N-[3-(methylamino)hexyl]formamide is CC.CCCC(CCNC=O)NC.
What is the InChIKey of ethane;N-[3-(methylamino)hexyl]formamide?
The InChIKey is XNWARZMZBBAJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6/c1-3-4-8(9-2)5-6-10-7-11;1-2/h7-9H,3-6H2,1-2H3,(H,10,11);1-2H3.
What are the key properties of ethane;N-[3-(methylamino)hexyl]formamide?
ethane;N-[3-(methylamino)hexyl]formamide has a molecular weight of 188.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-(methylamino)hexyl]formamide is sourced from PubChem (CID 142947106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).