ethane;ethylbenzene;hexan-3-amine

C16H31N — CID 143182014

IUPACethane;ethylbenzene;hexan-3-amine
SMILESCC.CCCC(N)CC.CCc1ccccc1
InChIInChI=1S/C8H10.C6H15N.C2H6/c1-2-8-6-4-3-5-7-8;1-3-5-6(7)4-2;1-2/h3-7H,2H2,1H3;6H,3-5,7H2,1-2H3;1-2H3
InChIKeyDGWQJPYOWAVGCQ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.80
Rot. Bonds4

About ethane;ethylbenzene;hexan-3-amine

ethane;ethylbenzene;hexan-3-amine (PubChem CID 143182014) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is ethane;ethylbenzene;hexan-3-amine.

Molecular Properties

Compound Nameethane;ethylbenzene;hexan-3-amine
PubChem CID143182014
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Nameethane;ethylbenzene;hexan-3-amine
SMILESCC.CCCC(N)CC.CCc1ccccc1
InChIInChI=1S/C8H10.C6H15N.C2H6/c1-2-8-6-4-3-5-7-8;1-3-5-6(7)4-2;1-2/h3-7H,2H2,1H3;6H,3-5,7H2,1-2H3;1-2H3
InChIKeyDGWQJPYOWAVGCQ-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-phenylhexan-3-amine
CID 66612996
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CID 90833594
ethylbenzene;molybdenum
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CID 22726309
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CID 153343160
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Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;hexan-3-amine?
The IUPAC name of ethane;ethylbenzene;hexan-3-amine (CID 143182014) is ethane;ethylbenzene;hexan-3-amine.
What is the SMILES notation for ethane;ethylbenzene;hexan-3-amine?
The canonical SMILES for ethane;ethylbenzene;hexan-3-amine is CC.CCCC(N)CC.CCc1ccccc1.
What is the InChIKey of ethane;ethylbenzene;hexan-3-amine?
The InChIKey is DGWQJPYOWAVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H15N.C2H6/c1-2-8-6-4-3-5-7-8;1-3-5-6(7)4-2;1-2/h3-7H,2H2,1H3;6H,3-5,7H2,1-2H3;1-2H3.
What are the key properties of ethane;ethylbenzene;hexan-3-amine?
ethane;ethylbenzene;hexan-3-amine has a molecular weight of 237.43 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;hexan-3-amine is sourced from PubChem (CID 143182014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).