(2R)-3-N-butylbutane-2,3-diamine

C8H20N2 — CID 148852356

IUPAC(2R)-3-N-butylbutane-2,3-diamine
SMILESCCCCNC(C)[C@@H](C)N
InChIInChI=1S/C8H20N2/c1-4-5-6-10-8(3)7(2)9/h7-8,10H,4-6,9H2,1-3H3/t7-,8?/m1/s1
InChIKeyOXRWBTJFNDNTRG-GVHYBUMESA-N
MW144.26 g/mol
LogP1.11
Rot. Bonds5

About (2R)-3-N-butylbutane-2,3-diamine

(2R)-3-N-butylbutane-2,3-diamine (PubChem CID 148852356) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (2R)-3-N-butylbutane-2,3-diamine.

Molecular Properties

Compound Name(2R)-3-N-butylbutane-2,3-diamine
PubChem CID148852356
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(2R)-3-N-butylbutane-2,3-diamine
SMILESCCCCNC(C)[C@@H](C)N
InChIInChI=1S/C8H20N2/c1-4-5-6-10-8(3)7(2)9/h7-8,10H,4-6,9H2,1-3H3/t7-,8?/m1/s1
InChIKeyOXRWBTJFNDNTRG-GVHYBUMESA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-methylpentan-2-amine
CID 43200990
N-butyl-3,4,5,6-tetramethylheptan-2-amine
CID 91139957
N-butyl-3-methylhexan-2-amine
CID 123937982
1-N'-butylpropane-1,1-diamine
CID 22184083
2-N'-butylethane-1,1,2,2-tetramine
CID 175179037
1-N'-pentylethane-1,1-diamine
CID 87708859
N-propan-2-ylbutan-1-amine chloride
CID 19629099
1-N'-nonylethane-1,1-diamine
CID 141374358
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
1-N'-butylprop-2-ene-1,1-diamine
CID 130279895
2-(tetradecylamino)propane-1,1-diol
CID 174762987
2-amino-3-(dodecylamino)butanoic acid
CID 19010239

Frequently Asked Questions

What is the IUPAC name of (2R)-3-N-butylbutane-2,3-diamine?
The IUPAC name of (2R)-3-N-butylbutane-2,3-diamine (CID 148852356) is (2R)-3-N-butylbutane-2,3-diamine.
What is the SMILES notation for (2R)-3-N-butylbutane-2,3-diamine?
The canonical SMILES for (2R)-3-N-butylbutane-2,3-diamine is CCCCNC(C)[C@@H](C)N.
What is the InChIKey of (2R)-3-N-butylbutane-2,3-diamine?
The InChIKey is OXRWBTJFNDNTRG-GVHYBUMESA-N. The full InChI is InChI=1S/C8H20N2/c1-4-5-6-10-8(3)7(2)9/h7-8,10H,4-6,9H2,1-3H3/t7-,8?/m1/s1.
What are the key properties of (2R)-3-N-butylbutane-2,3-diamine?
(2R)-3-N-butylbutane-2,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-N-butylbutane-2,3-diamine is sourced from PubChem (CID 148852356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).