N-[(3R)-3-methylhexyl]nitrous amide

C7H16N2O — CID 88966498

IUPACN-[(3R)-3-methylhexyl]nitrous amide
SMILESCCC[C@@H](C)CCNN=O
InChIInChI=1S/C7H16N2O/c1-3-4-7(2)5-6-8-9-10/h7H,3-6H2,1-2H3,(H,8,10)/t7-/m1/s1
InChIKeyHJRIUFCMSLPBJS-SSDOTTSWSA-N
MW144.22 g/mol
LogP2.08
Rot. Bonds6

About N-[(3R)-3-methylhexyl]nitrous amide

N-[(3R)-3-methylhexyl]nitrous amide (PubChem CID 88966498) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[(3R)-3-methylhexyl]nitrous amide.

Molecular Properties

Compound NameN-[(3R)-3-methylhexyl]nitrous amide
PubChem CID88966498
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[(3R)-3-methylhexyl]nitrous amide
SMILESCCC[C@@H](C)CCNN=O
InChIInChI=1S/C7H16N2O/c1-3-4-7(2)5-6-8-9-10/h7H,3-6H2,1-2H3,(H,8,10)/t7-/m1/s1
InChIKeyHJRIUFCMSLPBJS-SSDOTTSWSA-N
XLogP2.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
N,3,6-trimethylnonan-1-amine
CID 139316935
4-methylheptane;propane
CID 142171269
(4R)-1-bromo-4-methylheptane
CID 101151528
acetylene;4-methylheptane
CID 143164229
N,12-dimethylpentadecan-1-amine
CID 174486923
4-methyl-N-[(methylideneamino)methyl]heptan-1-amine
CID 155275199
4-methylheptane;pentane
CID 142501546
4-methyltritriacontane
CID 71346224
4,13-dimethylheptadecane
CID 6430494
(4S)-4-methyltridecane
CID 24884428

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methylhexyl]nitrous amide?
The IUPAC name of N-[(3R)-3-methylhexyl]nitrous amide (CID 88966498) is N-[(3R)-3-methylhexyl]nitrous amide.
What is the SMILES notation for N-[(3R)-3-methylhexyl]nitrous amide?
The canonical SMILES for N-[(3R)-3-methylhexyl]nitrous amide is CCC[C@@H](C)CCNN=O.
What is the InChIKey of N-[(3R)-3-methylhexyl]nitrous amide?
The InChIKey is HJRIUFCMSLPBJS-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-4-7(2)5-6-8-9-10/h7H,3-6H2,1-2H3,(H,8,10)/t7-/m1/s1.
What are the key properties of N-[(3R)-3-methylhexyl]nitrous amide?
N-[(3R)-3-methylhexyl]nitrous amide has a molecular weight of 144.22 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methylhexyl]nitrous amide is sourced from PubChem (CID 88966498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).