ethane;N-ethyl-N,2-dimethylpropan-1-amine

C11H29N — CID 143400672

IUPACethane;N-ethyl-N,2-dimethylpropan-1-amine
SMILESCC.CC.CCN(C)CC(C)C
InChIInChI=1S/C7H17N.2C2H6/c1-5-8(4)6-7(2)3;2*1-2/h7H,5-6H2,1-4H3;2*1-2H3
InChIKeyCTQUGCULAWYRMD-UHFFFAOYSA-N
MW175.36 g/mol
LogP3.65
Rot. Bonds3

About ethane;N-ethyl-N,2-dimethylpropan-1-amine

ethane;N-ethyl-N,2-dimethylpropan-1-amine (PubChem CID 143400672) has the molecular formula C11H29N and a molecular weight of 175.36 g/mol. Its IUPAC name is ethane;N-ethyl-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N,2-dimethylpropan-1-amine
PubChem CID143400672
Molecular FormulaC11H29N
Molecular Weight175.36 g/mol
Exact Mass175.23
IUPAC Nameethane;N-ethyl-N,2-dimethylpropan-1-amine
SMILESCC.CC.CCN(C)CC(C)C
InChIInChI=1S/C7H17N.2C2H6/c1-5-8(4)6-7(2)3;2*1-2/h7H,5-6H2,1-4H3;2*1-2H3
InChIKeyCTQUGCULAWYRMD-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
(2R)-1-[ethyl(methyl)amino]propane-2-thiol
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(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
ethane;N-ethyl-2-methoxy-N-methylpropan-1-amine
CID 145315880
N-methyl-N-(2-methylpropyl)-N',N'-dipropylethane-1,2-diamine
CID 166733537
N'-ethyl-N',2-dimethylpropane-1,3-diamine
CID 25219171
ethane;N-ethyl-N-methylethanamine;propane
CID 170620045
N-(2-fluoropropyl)-N,2-dimethylpropan-1-amine
CID 177032219
N-(2,2-difluoroethyl)-N,2-dimethylpropan-1-amine
CID 126663851
ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane
CID 145053451
ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol
CID 142873748
N-ethyl-N,2,4,4-tetramethylpentan-1-amine
CID 163702112

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,2-dimethylpropan-1-amine?
The IUPAC name of ethane;N-ethyl-N,2-dimethylpropan-1-amine (CID 143400672) is ethane;N-ethyl-N,2-dimethylpropan-1-amine.
What is the SMILES notation for ethane;N-ethyl-N,2-dimethylpropan-1-amine?
The canonical SMILES for ethane;N-ethyl-N,2-dimethylpropan-1-amine is CC.CC.CCN(C)CC(C)C.
What is the InChIKey of ethane;N-ethyl-N,2-dimethylpropan-1-amine?
The InChIKey is CTQUGCULAWYRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.2C2H6/c1-5-8(4)6-7(2)3;2*1-2/h7H,5-6H2,1-4H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N,2-dimethylpropan-1-amine?
ethane;N-ethyl-N,2-dimethylpropan-1-amine has a molecular weight of 175.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 143400672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).