ethane;2-methylbutane;prop-1-en-2-amine

C12H31N — CID 144735709

IUPACethane;2-methylbutane;prop-1-en-2-amine
SMILESC=C(C)N.CC.CC.CCC(C)C
InChIInChI=1S/C5H12.C3H7N.2C2H6/c1-4-5(2)3;1-3(2)4;2*1-2/h5H,4H2,1-3H3;1,4H2,2H3;2*1-2H3
InChIKeyBJIHYOLNBNKDJW-UHFFFAOYSA-N
MW189.39 g/mol
LogP4.58
Rot. Bonds1

About ethane;2-methylbutane;prop-1-en-2-amine

ethane;2-methylbutane;prop-1-en-2-amine (PubChem CID 144735709) has the molecular formula C12H31N and a molecular weight of 189.39 g/mol. Its IUPAC name is ethane;2-methylbutane;prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;2-methylbutane;prop-1-en-2-amine
PubChem CID144735709
Molecular FormulaC12H31N
Molecular Weight189.39 g/mol
Exact Mass189.25
IUPAC Nameethane;2-methylbutane;prop-1-en-2-amine
SMILESC=C(C)N.CC.CC.CCC(C)C
InChIInChI=1S/C5H12.C3H7N.2C2H6/c1-4-5(2)3;1-3(2)4;2*1-2/h5H,4H2,1-3H3;1,4H2,2H3;2*1-2H3
InChIKeyBJIHYOLNBNKDJW-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;ethene;2-methylbutane;propane
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CID 164983427
CID 164983427
2-methylbutane
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2-methylbutane
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butane;ethane;methanol;2-methylbutane
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CID 162144061

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutane;prop-1-en-2-amine?
The IUPAC name of ethane;2-methylbutane;prop-1-en-2-amine (CID 144735709) is ethane;2-methylbutane;prop-1-en-2-amine.
What is the SMILES notation for ethane;2-methylbutane;prop-1-en-2-amine?
The canonical SMILES for ethane;2-methylbutane;prop-1-en-2-amine is C=C(C)N.CC.CC.CCC(C)C.
What is the InChIKey of ethane;2-methylbutane;prop-1-en-2-amine?
The InChIKey is BJIHYOLNBNKDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H7N.2C2H6/c1-4-5(2)3;1-3(2)4;2*1-2/h5H,4H2,1-3H3;1,4H2,2H3;2*1-2H3.
What are the key properties of ethane;2-methylbutane;prop-1-en-2-amine?
ethane;2-methylbutane;prop-1-en-2-amine has a molecular weight of 189.39 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;prop-1-en-2-amine is sourced from PubChem (CID 144735709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).