3-N-(3-aminobutan-2-yl)butane-2,3-diamine

C8H21N3 — CID 87221805

IUPAC3-N-(3-aminobutan-2-yl)butane-2,3-diamine
SMILESCC(N)C(C)NC(C)C(C)N
InChIInChI=1S/C8H21N3/c1-5(9)7(3)11-8(4)6(2)10/h5-8,11H,9-10H2,1-4H3
InChIKeyDGDSGMATKRECAT-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.05
Rot. Bonds4

About 3-N-(3-aminobutan-2-yl)butane-2,3-diamine

3-N-(3-aminobutan-2-yl)butane-2,3-diamine (PubChem CID 87221805) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 3-N-(3-aminobutan-2-yl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-aminobutan-2-yl)butane-2,3-diamine
PubChem CID87221805
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name3-N-(3-aminobutan-2-yl)butane-2,3-diamine
SMILESCC(N)C(C)NC(C)C(C)N
InChIInChI=1S/C8H21N3/c1-5(9)7(3)11-8(4)6(2)10/h5-8,11H,9-10H2,1-4H3
InChIKeyDGDSGMATKRECAT-UHFFFAOYSA-N
XLogP0.05
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-methylbutane-2,3-diamine
CID 83349931
(2R)-3-N-methylbutane-2,3-diamine
CID 138713984
1-N'-(1-amino-2-methylpropyl)-2-methylpropane-1,1-diamine
CID 54065713
(3R)-butane-2,3-diamine
CID 172719520
CID 86589108
CID 86589108
(2R,3R)-butane-2,3-diamine;dihydrochloride
CID 90474575
(2R)-propane-1,1,2-triamine
CID 164890165
(2R)-3-methylbutan-2-amine
CID 6999786
N-(3-aminobutan-2-yl)ethanethioamide
CID 88670413
N-[(2S)-3-aminobutan-2-yl]acetamide
CID 58714923
[(2R,3R)-3-aminobutan-2-yl]carbamodithioic acid
CID 130787867
(2S)-2-aminopropanoic acid
CID 18446182

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-aminobutan-2-yl)butane-2,3-diamine?
The IUPAC name of 3-N-(3-aminobutan-2-yl)butane-2,3-diamine (CID 87221805) is 3-N-(3-aminobutan-2-yl)butane-2,3-diamine.
What is the SMILES notation for 3-N-(3-aminobutan-2-yl)butane-2,3-diamine?
The canonical SMILES for 3-N-(3-aminobutan-2-yl)butane-2,3-diamine is CC(N)C(C)NC(C)C(C)N.
What is the InChIKey of 3-N-(3-aminobutan-2-yl)butane-2,3-diamine?
The InChIKey is DGDSGMATKRECAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-5(9)7(3)11-8(4)6(2)10/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 3-N-(3-aminobutan-2-yl)butane-2,3-diamine?
3-N-(3-aminobutan-2-yl)butane-2,3-diamine has a molecular weight of 159.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-aminobutan-2-yl)butane-2,3-diamine is sourced from PubChem (CID 87221805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).