(2S)-N-ethyl-N,2-dimethylbutan-1-amine

C8H19N — CID 89086806

IUPAC(2S)-N-ethyl-N,2-dimethylbutan-1-amine
SMILESCC[C@H](C)CN(C)CC
InChIInChI=1S/C8H19N/c1-5-8(3)7-9(4)6-2/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyFDVGAMJGVBLLES-QMMMGPOBSA-N
MW129.25 g/mol
LogP1.98
Rot. Bonds4

About (2S)-N-ethyl-N,2-dimethylbutan-1-amine

(2S)-N-ethyl-N,2-dimethylbutan-1-amine (PubChem CID 89086806) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (2S)-N-ethyl-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name(2S)-N-ethyl-N,2-dimethylbutan-1-amine
PubChem CID89086806
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(2S)-N-ethyl-N,2-dimethylbutan-1-amine
SMILESCC[C@H](C)CN(C)CC
InChIInChI=1S/C8H19N/c1-5-8(3)7-9(4)6-2/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyFDVGAMJGVBLLES-QMMMGPOBSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-ethyl-N',2-dimethylpropane-1,3-diamine
CID 25219171
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
N-ethyl-N,2,4,4-tetramethylpentan-1-amine
CID 163702112
N-methyl-N-(2-methylbutyl)hydroxylamine
CID 143701595
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
N,2-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 123617319
N-ethyl-N,2-dimethylpent-4-en-1-amine
CID 139352372
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine
CID 170117708
N-(3-bromopropyl)-N,2-dimethylbutan-1-amine
CID 61288758

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N,2-dimethylbutan-1-amine?
The IUPAC name of (2S)-N-ethyl-N,2-dimethylbutan-1-amine (CID 89086806) is (2S)-N-ethyl-N,2-dimethylbutan-1-amine.
What is the SMILES notation for (2S)-N-ethyl-N,2-dimethylbutan-1-amine?
The canonical SMILES for (2S)-N-ethyl-N,2-dimethylbutan-1-amine is CC[C@H](C)CN(C)CC.
What is the InChIKey of (2S)-N-ethyl-N,2-dimethylbutan-1-amine?
The InChIKey is FDVGAMJGVBLLES-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N/c1-5-8(3)7-9(4)6-2/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-N-ethyl-N,2-dimethylbutan-1-amine?
(2S)-N-ethyl-N,2-dimethylbutan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 89086806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).