(2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine

C11H26N2 — CID 144672092

IUPAC(2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine
SMILESCCCC[C@@H](CN(C)CC)N(C)C
InChIInChI=1S/C11H26N2/c1-6-8-9-11(12(3)4)10-13(5)7-2/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyKBNOBRNABPRMGS-NSHDSACASA-N
MW186.34 g/mol
LogP2.06
Rot. Bonds7

About (2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine

(2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine (PubChem CID 144672092) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is (2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine
PubChem CID144672092
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name(2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine
SMILESCCCC[C@@H](CN(C)CC)N(C)C
InChIInChI=1S/C11H26N2/c1-6-8-9-11(12(3)4)10-13(5)7-2/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyKBNOBRNABPRMGS-NSHDSACASA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 19862397
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CID 134549801
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CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
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N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
3-(dimethylamino)heptanoic acid
CID 64527773
butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane
CID 155693109
N,N-dihydroxydecan-5-amine
CID 88629686
N-butyl-N-methylnonan-5-amine
CID 175231488
(2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine
CID 170444896
N,N-diaminononan-5-amine
CID 88511755

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine?
The IUPAC name of (2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine (CID 144672092) is (2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine?
The canonical SMILES for (2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine is CCCC[C@@H](CN(C)CC)N(C)C.
What is the InChIKey of (2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine?
The InChIKey is KBNOBRNABPRMGS-NSHDSACASA-N. The full InChI is InChI=1S/C11H26N2/c1-6-8-9-11(12(3)4)10-13(5)7-2/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine?
(2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-ethyl-1-N,2-N,2-N-trimethylhexane-1,2-diamine is sourced from PubChem (CID 144672092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).