ethane;(2R)-N,N,2-trimethylbutan-1-amine

C9H23N — CID 178101295

IUPACethane;(2R)-N,N,2-trimethylbutan-1-amine
SMILESCC.CC[C@@H](C)CN(C)C
InChIInChI=1S/C7H17N.C2H6/c1-5-7(2)6-8(3)4;1-2/h7H,5-6H2,1-4H3;1-2H3/t7-;/m1./s1
InChIKeyFWVLRPGBDOVIMV-OGFXRTJISA-N
MW145.29 g/mol
LogP2.62
Rot. Bonds3

About ethane;(2R)-N,N,2-trimethylbutan-1-amine

ethane;(2R)-N,N,2-trimethylbutan-1-amine (PubChem CID 178101295) has the molecular formula C9H23N and a molecular weight of 145.29 g/mol. Its IUPAC name is ethane;(2R)-N,N,2-trimethylbutan-1-amine.

Molecular Properties

Compound Nameethane;(2R)-N,N,2-trimethylbutan-1-amine
PubChem CID178101295
Molecular FormulaC9H23N
Molecular Weight145.29 g/mol
Exact Mass145.18
IUPAC Nameethane;(2R)-N,N,2-trimethylbutan-1-amine
SMILESCC.CC[C@@H](C)CN(C)C
InChIInChI=1S/C7H17N.C2H6/c1-5-7(2)6-8(3)4;1-2/h7H,5-6H2,1-4H3;1-2H3/t7-;/m1./s1
InChIKeyFWVLRPGBDOVIMV-OGFXRTJISA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
carbanide;rutherfordium;N,N,2-trimethylbutan-1-amine
CID 166075746
N-methyl-N-(2-methylbutyl)hydroxylamine
CID 143701595
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine
CID 158144247
(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine
CID 170265960
ethane;3-methylpentane
CID 91147782
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
N,N,2,4-tetramethylpentan-1-amine
CID 58758115
2-ethyl-N',N',4-trimethylpentane-1,5-diamine
CID 170202582
N-(3-bromopropyl)-N,2-dimethylbutan-1-amine
CID 61288758

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-N,N,2-trimethylbutan-1-amine?
The IUPAC name of ethane;(2R)-N,N,2-trimethylbutan-1-amine (CID 178101295) is ethane;(2R)-N,N,2-trimethylbutan-1-amine.
What is the SMILES notation for ethane;(2R)-N,N,2-trimethylbutan-1-amine?
The canonical SMILES for ethane;(2R)-N,N,2-trimethylbutan-1-amine is CC.CC[C@@H](C)CN(C)C.
What is the InChIKey of ethane;(2R)-N,N,2-trimethylbutan-1-amine?
The InChIKey is FWVLRPGBDOVIMV-OGFXRTJISA-N. The full InChI is InChI=1S/C7H17N.C2H6/c1-5-7(2)6-8(3)4;1-2/h7H,5-6H2,1-4H3;1-2H3/t7-;/m1./s1.
What are the key properties of ethane;(2R)-N,N,2-trimethylbutan-1-amine?
ethane;(2R)-N,N,2-trimethylbutan-1-amine has a molecular weight of 145.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-N,N,2-trimethylbutan-1-amine is sourced from PubChem (CID 178101295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).