N-(aminomethyl)-N-(diaminomethyl)hydroxylamine

C2H10N4O — CID 87331131

IUPACN-(aminomethyl)-N-(diaminomethyl)hydroxylamine
SMILESNCN(O)C(N)N
InChIInChI=1S/C2H10N4O/c3-1-6(7)2(4)5/h2,7H,1,3-5H2
InChIKeyBNZHOKONVGZFQD-UHFFFAOYSA-N
MW106.13 g/mol
LogP-2.21
Rot. Bonds2

About N-(aminomethyl)-N-(diaminomethyl)hydroxylamine

N-(aminomethyl)-N-(diaminomethyl)hydroxylamine (PubChem CID 87331131) has the molecular formula C2H10N4O and a molecular weight of 106.13 g/mol. Its IUPAC name is N-(aminomethyl)-N-(diaminomethyl)hydroxylamine.

Molecular Properties

Compound NameN-(aminomethyl)-N-(diaminomethyl)hydroxylamine
PubChem CID87331131
Molecular FormulaC2H10N4O
Molecular Weight106.13 g/mol
Exact Mass106.09
IUPAC NameN-(aminomethyl)-N-(diaminomethyl)hydroxylamine
SMILESNCN(O)C(N)N
InChIInChI=1S/C2H10N4O/c3-1-6(7)2(4)5/h2,7H,1,3-5H2
InChIKeyBNZHOKONVGZFQD-UHFFFAOYSA-N
XLogP-2.21
TPSA101.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[aminomethyl(hydroxy)amino]methanol
CID 155643761
N-(2-aminoethyl)-N-propan-2-ylhydroxylamine
CID 87369544
1-[aminomethyl(2-hydroxybutyl)amino]butan-2-ol
CID 178085063
N-(aminomethyl)-N-[(ethylideneamino)methyl]hydroxylamine
CID 123379485
1-amino-2-(1,3-dihydroxypropan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 91395863
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride
CID 159922331
disodium;1,2-diaminoethanol;hydride
CID 175201156
3-amino-2-[ethyl(hydroxy)amino]propanoic acid
CID 130825760
aminomethyl (2S)-2-aminopropanoate
CID 139681738
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190
N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 144977230
1,3-diaminopropan-1-ol
CID 10419133

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-N-(diaminomethyl)hydroxylamine?
The IUPAC name of N-(aminomethyl)-N-(diaminomethyl)hydroxylamine (CID 87331131) is N-(aminomethyl)-N-(diaminomethyl)hydroxylamine.
What is the SMILES notation for N-(aminomethyl)-N-(diaminomethyl)hydroxylamine?
The canonical SMILES for N-(aminomethyl)-N-(diaminomethyl)hydroxylamine is NCN(O)C(N)N.
What is the InChIKey of N-(aminomethyl)-N-(diaminomethyl)hydroxylamine?
The InChIKey is BNZHOKONVGZFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H10N4O/c3-1-6(7)2(4)5/h2,7H,1,3-5H2.
What are the key properties of N-(aminomethyl)-N-(diaminomethyl)hydroxylamine?
N-(aminomethyl)-N-(diaminomethyl)hydroxylamine has a molecular weight of 106.13 g/mol, XLogP of -2.21, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N-(diaminomethyl)hydroxylamine is sourced from PubChem (CID 87331131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).