ethane;2-ethyl-N-methylbutan-1-amine

C11H29N — CID 143337044

IUPACethane;2-ethyl-N-methylbutan-1-amine
SMILESCC.CC.CCC(CC)CNC
InChIInChI=1S/C7H17N.2C2H6/c1-4-7(5-2)6-8-3;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyAVFNIHNVSRHIRV-UHFFFAOYSA-N
MW175.36 g/mol
LogP3.69
Rot. Bonds4

About ethane;2-ethyl-N-methylbutan-1-amine

ethane;2-ethyl-N-methylbutan-1-amine (PubChem CID 143337044) has the molecular formula C11H29N and a molecular weight of 175.36 g/mol. Its IUPAC name is ethane;2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Nameethane;2-ethyl-N-methylbutan-1-amine
PubChem CID143337044
Molecular FormulaC11H29N
Molecular Weight175.36 g/mol
Exact Mass175.23
IUPAC Nameethane;2-ethyl-N-methylbutan-1-amine
SMILESCC.CC.CCC(CC)CNC
InChIInChI=1S/C7H17N.2C2H6/c1-4-7(5-2)6-8-3;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyAVFNIHNVSRHIRV-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethyl-N'-methylpropane-1,3-diamine
CID 144511427
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
2-ethyl-N-methylpent-4-en-1-amine
CID 131051104
2-ethyl-N,4,5-trimethylhexan-1-amine
CID 123189418
N',N',2-triethyl-N-methylpentane-1,5-diamine
CID 142375045
2-ethyl-N-methylundecan-1-amine
CID 63522579
4-(methylaminomethyl)hexanal
CID 170602514
4-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 62530936
N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
CID 116931795
(2R,3R,4R,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104697
(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104696
2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
CID 65490309

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-N-methylbutan-1-amine?
The IUPAC name of ethane;2-ethyl-N-methylbutan-1-amine (CID 143337044) is ethane;2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for ethane;2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for ethane;2-ethyl-N-methylbutan-1-amine is CC.CC.CCC(CC)CNC.
What is the InChIKey of ethane;2-ethyl-N-methylbutan-1-amine?
The InChIKey is AVFNIHNVSRHIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.2C2H6/c1-4-7(5-2)6-8-3;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-N-methylbutan-1-amine?
ethane;2-ethyl-N-methylbutan-1-amine has a molecular weight of 175.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 143337044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).