N-[(2R)-2-(methylideneamino)hexyl]acetamide

C9H18N2O — CID 139501132

IUPACN-[(2R)-2-(methylideneamino)hexyl]acetamide
SMILESC=N[C@H](CCCC)CNC(C)=O
InChIInChI=1S/C9H18N2O/c1-4-5-6-9(10-3)7-11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyDZCRHKHPDMZMGH-SECBINFHSA-N
MW170.26 g/mol
LogP1.38
Rot. Bonds6

About N-[(2R)-2-(methylideneamino)hexyl]acetamide

N-[(2R)-2-(methylideneamino)hexyl]acetamide (PubChem CID 139501132) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(2R)-2-(methylideneamino)hexyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(methylideneamino)hexyl]acetamide
PubChem CID139501132
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(2R)-2-(methylideneamino)hexyl]acetamide
SMILESC=N[C@H](CCCC)CNC(C)=O
InChIInChI=1S/C9H18N2O/c1-4-5-6-9(10-3)7-11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyDZCRHKHPDMZMGH-SECBINFHSA-N
XLogP1.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

fluoromethane;N-[(2R)-2-methylhexyl]acetamide
CID 145149419
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
N-[(2S)-2-hydroxyheptyl]acetamide
CID 11686981
N-(2-bromoheptyl)acetamide
CID 174351305
N-(2-bromododecyl)acetamide
CID 87944717
3-(acetamidomethyl)-4,5-dimethylnonanoic acid
CID 11230636
N-[2-(2-ethylhexylamino)ethyl]acetamide
CID 60683101
N-[2-(octan-4-ylamino)ethyl]acetamide
CID 102673471
N-hexan-2-ylacetamide;methane
CID 161054772
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
N-(3-butoxy-2-methylpropyl)acetamide
CID 134356705
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(methylideneamino)hexyl]acetamide?
The IUPAC name of N-[(2R)-2-(methylideneamino)hexyl]acetamide (CID 139501132) is N-[(2R)-2-(methylideneamino)hexyl]acetamide.
What is the SMILES notation for N-[(2R)-2-(methylideneamino)hexyl]acetamide?
The canonical SMILES for N-[(2R)-2-(methylideneamino)hexyl]acetamide is C=N[C@H](CCCC)CNC(C)=O.
What is the InChIKey of N-[(2R)-2-(methylideneamino)hexyl]acetamide?
The InChIKey is DZCRHKHPDMZMGH-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-6-9(10-3)7-11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(methylideneamino)hexyl]acetamide?
N-[(2R)-2-(methylideneamino)hexyl]acetamide has a molecular weight of 170.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(methylideneamino)hexyl]acetamide is sourced from PubChem (CID 139501132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).