(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine

C11H25N — CID 59084986

IUPAC(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
SMILESCCC(C)CNC[C@@H](C)C(C)C
InChIInChI=1S/C11H25N/c1-6-10(4)7-12-8-11(5)9(2)3/h9-12H,6-8H2,1-5H3/t10?,11-/m1/s1
InChIKeyPQBXNLKHQMKPMK-RRKGBCIJSA-N
MW171.33 g/mol
LogP2.91
Rot. Bonds6

About (2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine

(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine (PubChem CID 59084986) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
PubChem CID59084986
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
SMILESCCC(C)CNC[C@@H](C)C(C)C
InChIInChI=1S/C11H25N/c1-6-10(4)7-12-8-11(5)9(2)3/h9-12H,6-8H2,1-5H3/t10?,11-/m1/s1
InChIKeyPQBXNLKHQMKPMK-RRKGBCIJSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904680
2,3,4-trimethyl-N-(2-methylbutyl)hex-5-en-1-amine
CID 154966914
3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine
CID 62692056
N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine
CID 59084993
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine
CID 19083260
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
4-methyl-1-(2-methylbutylamino)pentan-3-ol
CID 115887689
2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine
CID 43096593
(5R)-2,3,5-trimethylheptane
CID 59882960

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine?
The IUPAC name of (2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine (CID 59084986) is (2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine.
What is the SMILES notation for (2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine?
The canonical SMILES for (2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine is CCC(C)CNC[C@@H](C)C(C)C.
What is the InChIKey of (2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine?
The InChIKey is PQBXNLKHQMKPMK-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H25N/c1-6-10(4)7-12-8-11(5)9(2)3/h9-12H,6-8H2,1-5H3/t10?,11-/m1/s1.
What are the key properties of (2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine?
(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine is sourced from PubChem (CID 59084986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).