ethane;hexan-3-amine;methane

C9H25N — CID 145152462

IUPACethane;hexan-3-amine;methane
SMILESC.CC.CCCC(N)CC
InChIInChI=1S/C6H15N.C2H6.CH4/c1-3-5-6(7)4-2;1-2;/h6H,3-5,7H2,1-2H3;1-2H3;1H4
InChIKeyHUBHAJXGFDDRKY-UHFFFAOYSA-N
MW147.31 g/mol
LogP3.19
Rot. Bonds3

About ethane;hexan-3-amine;methane

ethane;hexan-3-amine;methane (PubChem CID 145152462) has the molecular formula C9H25N and a molecular weight of 147.31 g/mol. Its IUPAC name is ethane;hexan-3-amine;methane.

Molecular Properties

Compound Nameethane;hexan-3-amine;methane
PubChem CID145152462
Molecular FormulaC9H25N
Molecular Weight147.31 g/mol
Exact Mass147.20
IUPAC Nameethane;hexan-3-amine;methane
SMILESC.CC.CCCC(N)CC
InChIInChI=1S/C6H15N.C2H6.CH4/c1-3-5-6(7)4-2;1-2;/h6H,3-5,7H2,1-2H3;1-2H3;1H4
InChIKeyHUBHAJXGFDDRKY-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 175120215
tritriactan-3-amine;hydrochloride
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CID 82920638
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Frequently Asked Questions

What is the IUPAC name of ethane;hexan-3-amine;methane?
The IUPAC name of ethane;hexan-3-amine;methane (CID 145152462) is ethane;hexan-3-amine;methane.
What is the SMILES notation for ethane;hexan-3-amine;methane?
The canonical SMILES for ethane;hexan-3-amine;methane is C.CC.CCCC(N)CC.
What is the InChIKey of ethane;hexan-3-amine;methane?
The InChIKey is HUBHAJXGFDDRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H6.CH4/c1-3-5-6(7)4-2;1-2;/h6H,3-5,7H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;hexan-3-amine;methane?
ethane;hexan-3-amine;methane has a molecular weight of 147.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexan-3-amine;methane is sourced from PubChem (CID 145152462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).