N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide

C6H14N2O4 — CID 140609588

IUPACN-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide
SMILESCCCN(CCC(O)(O)O)N=O
InChIInChI=1S/C6H14N2O4/c1-2-4-8(7-12)5-3-6(9,10)11/h9-11H,2-5H2,1H3
InChIKeyYEYDTMTULHDOIF-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.60
Rot. Bonds6

About N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide

N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide (PubChem CID 140609588) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide.

Molecular Properties

Compound NameN-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide
PubChem CID140609588
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC NameN-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide
SMILESCCCN(CCC(O)(O)O)N=O
InChIInChI=1S/C6H14N2O4/c1-2-4-8(7-12)5-3-6(9,10)11/h9-11H,2-5H2,1H3
InChIKeyYEYDTMTULHDOIF-UHFFFAOYSA-N
XLogP-0.60
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

N,N-dibutylnitrous amide;N,N-dimethylnitrous amide
CID 159809531
N-propyl-N-(sulfinylamino)propan-1-amine
CID 23278313
butane-1,1,1-triol;hydrochloride
CID 140976874
propan-2-yl N-[[nitroso(propyl)amino]methyl]carbamate
CID 12511033
N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide
CID 156620436
3-[ethyl(nitroso)amino]propanamide
CID 172967454
N,N-bis(2,2-dimethylpropyl)nitrous amide
CID 87559088
triacontane-1,1,1-triol
CID 87376487
dodecane-1,1,1-triol
CID 22412604
N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide
CID 175674488
hexadecane-1,1,1-triol;hydrobromide
CID 174918449
[ethyl(propyl)amino]methanetriol
CID 169119513

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide?
The IUPAC name of N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide (CID 140609588) is N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide.
What is the SMILES notation for N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide?
The canonical SMILES for N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide is CCCN(CCC(O)(O)O)N=O.
What is the InChIKey of N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide?
The InChIKey is YEYDTMTULHDOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4/c1-2-4-8(7-12)5-3-6(9,10)11/h9-11H,2-5H2,1H3.
What are the key properties of N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide?
N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide has a molecular weight of 178.19 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide is sourced from PubChem (CID 140609588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).