(1R)-1-deuteriobutane-1,4-diamine

C4H12N2 — CID 136917319

IUPAC(1R)-1-deuteriobutane-1,4-diamine
SMILES[2H][C@@H](N)CCCN
InChIInChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/i3D/t3-/m1/s1
InChIKeyKIDHWZJUCRJVML-QSLQMRRESA-N
MW89.16 g/mol
LogP-0.32
Rot. Bonds3

About (1R)-1-deuteriobutane-1,4-diamine

(1R)-1-deuteriobutane-1,4-diamine (PubChem CID 136917319) has the molecular formula C4H12N2 and a molecular weight of 89.16 g/mol. Its IUPAC name is (1R)-1-deuteriobutane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-deuteriobutane-1,4-diamine
PubChem CID136917319
Molecular FormulaC4H12N2
Molecular Weight89.16 g/mol
Exact Mass89.11
IUPAC Name(1R)-1-deuteriobutane-1,4-diamine
SMILES[2H][C@@H](N)CCCN
InChIInChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/i3D/t3-/m1/s1
InChIKeyKIDHWZJUCRJVML-QSLQMRRESA-N
XLogP-0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
azane;butane-1,4-diamine
CID 87378889
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
butane-1,4-diamine;europium
CID 90401592
octane-1,8-diamine;hydroiodide
CID 166637894
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
pentane-1,5-diamine;tantalum
CID 159829635
pentane-1,5-diamine;dihydrobromide
CID 87582695
hexane-1,6-diamine;platinum
CID 87698683
6-amino-1-deuteriohexan-1-ol
CID 175965040

Frequently Asked Questions

What is the IUPAC name of (1R)-1-deuteriobutane-1,4-diamine?
The IUPAC name of (1R)-1-deuteriobutane-1,4-diamine (CID 136917319) is (1R)-1-deuteriobutane-1,4-diamine.
What is the SMILES notation for (1R)-1-deuteriobutane-1,4-diamine?
The canonical SMILES for (1R)-1-deuteriobutane-1,4-diamine is [2H][C@@H](N)CCCN.
What is the InChIKey of (1R)-1-deuteriobutane-1,4-diamine?
The InChIKey is KIDHWZJUCRJVML-QSLQMRRESA-N. The full InChI is InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/i3D/t3-/m1/s1.
What are the key properties of (1R)-1-deuteriobutane-1,4-diamine?
(1R)-1-deuteriobutane-1,4-diamine has a molecular weight of 89.16 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-deuteriobutane-1,4-diamine is sourced from PubChem (CID 136917319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).