(2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine

C13H30N2 — CID 28983336

IUPAC(2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine
SMILESCCCCN(CCCC)C[C@@H](N)C(C)C
InChIInChI=1S/C13H30N2/c1-5-7-9-15(10-8-6-2)11-13(14)12(3)4/h12-13H,5-11,14H2,1-4H3/t13-/m1/s1
InChIKeyLAOZXUKGSSEHFF-CYBMUJFWSA-N
MW214.40 g/mol
LogP2.87
Rot. Bonds9

About (2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine

(2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine (PubChem CID 28983336) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is (2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine
PubChem CID28983336
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name(2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine
SMILESCCCCN(CCCC)C[C@@H](N)C(C)C
InChIInChI=1S/C13H30N2/c1-5-7-9-15(10-8-6-2)11-13(14)12(3)4/h12-13H,5-11,14H2,1-4H3/t13-/m1/s1
InChIKeyLAOZXUKGSSEHFF-CYBMUJFWSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-N,1-N-dioctylpentane-1,2-diamine
CID 75306915
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
3-amino-4-(dibutylamino)butan-1-ol
CID 64900069
1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine
CID 139915340
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine
CID 81101024
1-N',1-N'-dibutylethane-1,1-diamine
CID 22600656
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine (CID 28983336) is (2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine is CCCCN(CCCC)C[C@@H](N)C(C)C.
What is the InChIKey of (2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine?
The InChIKey is LAOZXUKGSSEHFF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-7-9-15(10-8-6-2)11-13(14)12(3)4/h12-13H,5-11,14H2,1-4H3/t13-/m1/s1.
What are the key properties of (2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine?
(2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine is sourced from PubChem (CID 28983336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).