(2R)-2-(aminomethylamino)-3-methylbutanal

C6H14N2O — CID 173236894

IUPAC(2R)-2-(aminomethylamino)-3-methylbutanal
SMILESCC(C)[C@H](C=O)NCN
InChIInChI=1S/C6H14N2O/c1-5(2)6(3-9)8-4-7/h3,5-6,8H,4,7H2,1-2H3/t6-/m0/s1
InChIKeyDGFXQZCRQFTARZ-LURJTMIESA-N
MW130.19 g/mol
LogP-0.28
Rot. Bonds4

About (2R)-2-(aminomethylamino)-3-methylbutanal

(2R)-2-(aminomethylamino)-3-methylbutanal (PubChem CID 173236894) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (2R)-2-(aminomethylamino)-3-methylbutanal.

Molecular Properties

Compound Name(2R)-2-(aminomethylamino)-3-methylbutanal
PubChem CID173236894
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(2R)-2-(aminomethylamino)-3-methylbutanal
SMILESCC(C)[C@H](C=O)NCN
InChIInChI=1S/C6H14N2O/c1-5(2)6(3-9)8-4-7/h3,5-6,8H,4,7H2,1-2H3/t6-/m0/s1
InChIKeyDGFXQZCRQFTARZ-LURJTMIESA-N
XLogP-0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide
CID 57179994
[(2S)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 87504341
1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine
CID 168800021
2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide
CID 118423165
N'-[(1S)-2-chloro-1-fluoropropyl]methanediamine
CID 175638595
(2R)-2,6-diamino-N-[(2S)-3-methyl-1-oxobutan-2-yl]-2-(2-methylpropanoyl)hexanamide
CID 174850502
N-(3-methyl-1-oxobutan-2-yl)hexadecanamide
CID 90757264
(2S)-2-(ethylamino)propanal
CID 54567079
N-[2-(2-butoxyethoxy)ethyl]-3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanamide
CID 157121719
(2S)-N-[(2S)-4-amino-1,4-dioxobutan-2-yl]-2-(aminomethylamino)-4-methylpentanamide
CID 88560035
(2S)-2-amino-N-[(2S,3R)-3-hydroxy-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-4-methylpentanamide
CID 173062226
2-aminoethanol;2-hydroxypropanal
CID 88787093

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethylamino)-3-methylbutanal?
The IUPAC name of (2R)-2-(aminomethylamino)-3-methylbutanal (CID 173236894) is (2R)-2-(aminomethylamino)-3-methylbutanal.
What is the SMILES notation for (2R)-2-(aminomethylamino)-3-methylbutanal?
The canonical SMILES for (2R)-2-(aminomethylamino)-3-methylbutanal is CC(C)[C@H](C=O)NCN.
What is the InChIKey of (2R)-2-(aminomethylamino)-3-methylbutanal?
The InChIKey is DGFXQZCRQFTARZ-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(2)6(3-9)8-4-7/h3,5-6,8H,4,7H2,1-2H3/t6-/m0/s1.
What are the key properties of (2R)-2-(aminomethylamino)-3-methylbutanal?
(2R)-2-(aminomethylamino)-3-methylbutanal has a molecular weight of 130.19 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethylamino)-3-methylbutanal is sourced from PubChem (CID 173236894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).