ethane;N-ethylpropan-2-amine;pentane

C12H31N — CID 155579970

IUPACethane;N-ethylpropan-2-amine;pentane
SMILESCC.CCCCC.CCNC(C)C
InChIInChI=1S/C5H13N.C5H12.C2H6/c1-4-6-5(2)3;1-3-5-4-2;1-2/h5-6H,4H2,1-3H3;3-5H2,1-2H3;1-2H3
InChIKeyLFYAMEIWHVIOKI-UHFFFAOYSA-N
MW189.39 g/mol
LogP4.23
Rot. Bonds4

About ethane;N-ethylpropan-2-amine;pentane

ethane;N-ethylpropan-2-amine;pentane (PubChem CID 155579970) has the molecular formula C12H31N and a molecular weight of 189.39 g/mol. Its IUPAC name is ethane;N-ethylpropan-2-amine;pentane.

Molecular Properties

Compound Nameethane;N-ethylpropan-2-amine;pentane
PubChem CID155579970
Molecular FormulaC12H31N
Molecular Weight189.39 g/mol
Exact Mass189.25
IUPAC Nameethane;N-ethylpropan-2-amine;pentane
SMILESCC.CCCCC.CCNC(C)C
InChIInChI=1S/C5H13N.C5H12.C2H6/c1-4-6-5(2)3;1-3-5-4-2;1-2/h5-6H,4H2,1-3H3;3-5H2,1-2H3;1-2H3
InChIKeyLFYAMEIWHVIOKI-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-propan-2-ylicosan-1-amine
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N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
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N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
ethane;hexane;2-methylpropane
CID 143834457
cyclopentane;ethane;pentane
CID 143543629
molecular hydrogen;N-propan-2-ylnonan-1-amine
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fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
ethane;pentane;propane
CID 154691570
azane;ethane;pentane
CID 87640611
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
ethane;heptane;2-methylpropane
CID 167499531

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylpropan-2-amine;pentane?
The IUPAC name of ethane;N-ethylpropan-2-amine;pentane (CID 155579970) is ethane;N-ethylpropan-2-amine;pentane.
What is the SMILES notation for ethane;N-ethylpropan-2-amine;pentane?
The canonical SMILES for ethane;N-ethylpropan-2-amine;pentane is CC.CCCCC.CCNC(C)C.
What is the InChIKey of ethane;N-ethylpropan-2-amine;pentane?
The InChIKey is LFYAMEIWHVIOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C5H12.C2H6/c1-4-6-5(2)3;1-3-5-4-2;1-2/h5-6H,4H2,1-3H3;3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethylpropan-2-amine;pentane?
ethane;N-ethylpropan-2-amine;pentane has a molecular weight of 189.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylpropan-2-amine;pentane is sourced from PubChem (CID 155579970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).