(2R)-1-N-butylbutane-1,2-diamine

C8H20N2 — CID 130522167

IUPAC(2R)-1-N-butylbutane-1,2-diamine
SMILESCCCCNC[C@H](N)CC
InChIInChI=1S/C8H20N2/c1-3-5-6-10-7-8(9)4-2/h8,10H,3-7,9H2,1-2H3/t8-/m1/s1
InChIKeyOAYLSWGYEKKBCA-MRVPVSSYSA-N
MW144.26 g/mol
LogP1.11
Rot. Bonds6

About (2R)-1-N-butylbutane-1,2-diamine

(2R)-1-N-butylbutane-1,2-diamine (PubChem CID 130522167) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (2R)-1-N-butylbutane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-butylbutane-1,2-diamine
PubChem CID130522167
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(2R)-1-N-butylbutane-1,2-diamine
SMILESCCCCNC[C@H](N)CC
InChIInChI=1S/C8H20N2/c1-3-5-6-10-7-8(9)4-2/h8,10H,3-7,9H2,1-2H3/t8-/m1/s1
InChIKeyOAYLSWGYEKKBCA-MRVPVSSYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

1-amino-2-(butylamino)ethanol;hydrobromide
CID 174960683
2-amino-3-(dodecylamino)propan-1-ol
CID 88670185
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
5-N-(2-aminohexyl)pentane-1,2,5-triamine
CID 88775596
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
2-(2-aminohexylamino)ethanol
CID 83960481
2-amino-3-(butylamino)propanamide
CID 103232681
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
2-(butylaminomethyl)butane-1-thiol
CID 142660120
1-[2-(butylamino)ethylamino]butan-2-ol
CID 54163788
2-(butylaminomethyl)butanal
CID 88538291

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-butylbutane-1,2-diamine?
The IUPAC name of (2R)-1-N-butylbutane-1,2-diamine (CID 130522167) is (2R)-1-N-butylbutane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-butylbutane-1,2-diamine?
The canonical SMILES for (2R)-1-N-butylbutane-1,2-diamine is CCCCNC[C@H](N)CC.
What is the InChIKey of (2R)-1-N-butylbutane-1,2-diamine?
The InChIKey is OAYLSWGYEKKBCA-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H20N2/c1-3-5-6-10-7-8(9)4-2/h8,10H,3-7,9H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-N-butylbutane-1,2-diamine?
(2R)-1-N-butylbutane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-butylbutane-1,2-diamine is sourced from PubChem (CID 130522167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).