ethane;N,3,4-trimethylhexan-1-amine

C13H33N — CID 145138668

IUPACethane;N,3,4-trimethylhexan-1-amine
SMILESCC.CC.CCC(C)C(C)CCNC
InChIInChI=1S/C9H21N.2C2H6/c1-5-8(2)9(3)6-7-10-4;2*1-2/h8-10H,5-7H2,1-4H3;2*1-2H3
InChIKeyOSMSESUCPXPJGR-UHFFFAOYSA-N
MW203.41 g/mol
LogP4.33
Rot. Bonds5

About ethane;N,3,4-trimethylhexan-1-amine

ethane;N,3,4-trimethylhexan-1-amine (PubChem CID 145138668) has the molecular formula C13H33N and a molecular weight of 203.41 g/mol. Its IUPAC name is ethane;N,3,4-trimethylhexan-1-amine.

Molecular Properties

Compound Nameethane;N,3,4-trimethylhexan-1-amine
PubChem CID145138668
Molecular FormulaC13H33N
Molecular Weight203.41 g/mol
Exact Mass203.26
IUPAC Nameethane;N,3,4-trimethylhexan-1-amine
SMILESCC.CC.CCC(C)C(C)CCNC
InChIInChI=1S/C9H21N.2C2H6/c1-5-8(2)9(3)6-7-10-4;2*1-2/h8-10H,5-7H2,1-4H3;2*1-2H3
InChIKeyOSMSESUCPXPJGR-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethylpentan-1-amine;ethane
CID 142089517
ethane;3-ethoxy-N-methylbutan-1-amine
CID 172587182
2,3-dimethylpentane;N-methylpropan-1-amine
CID 162382755
(3R)-3,4-dimethylheptane
CID 59819300
ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3-N-butan-2-yl-1-N-methylpentane-1,3-diamine
CID 118478770
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine
CID 62420325
N,3,6-trimethylnonan-1-amine
CID 139316935
3,4-dimethyldecane;ethane
CID 170980289
(3R)-3-fluoro-N-methylbutan-1-amine
CID 126693109

Frequently Asked Questions

What is the IUPAC name of ethane;N,3,4-trimethylhexan-1-amine?
The IUPAC name of ethane;N,3,4-trimethylhexan-1-amine (CID 145138668) is ethane;N,3,4-trimethylhexan-1-amine.
What is the SMILES notation for ethane;N,3,4-trimethylhexan-1-amine?
The canonical SMILES for ethane;N,3,4-trimethylhexan-1-amine is CC.CC.CCC(C)C(C)CCNC.
What is the InChIKey of ethane;N,3,4-trimethylhexan-1-amine?
The InChIKey is OSMSESUCPXPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.2C2H6/c1-5-8(2)9(3)6-7-10-4;2*1-2/h8-10H,5-7H2,1-4H3;2*1-2H3.
What are the key properties of ethane;N,3,4-trimethylhexan-1-amine?
ethane;N,3,4-trimethylhexan-1-amine has a molecular weight of 203.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,3,4-trimethylhexan-1-amine is sourced from PubChem (CID 145138668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).