ethane;hexan-3-amine

C10H27N — CID 143616305

IUPACethane;hexan-3-amine
SMILESCC.CC.CCCC(N)CC
InChIInChI=1S/C6H15N.2C2H6/c1-3-5-6(7)4-2;2*1-2/h6H,3-5,7H2,1-2H3;2*1-2H3
InChIKeyZEAOEBVOLQRWMI-UHFFFAOYSA-N
MW161.33 g/mol
LogP3.58
Rot. Bonds3

About ethane;hexan-3-amine

ethane;hexan-3-amine (PubChem CID 143616305) has the molecular formula C10H27N and a molecular weight of 161.33 g/mol. Its IUPAC name is ethane;hexan-3-amine.

Molecular Properties

Compound Nameethane;hexan-3-amine
PubChem CID143616305
Molecular FormulaC10H27N
Molecular Weight161.33 g/mol
Exact Mass161.21
IUPAC Nameethane;hexan-3-amine
SMILESCC.CC.CCCC(N)CC
InChIInChI=1S/C6H15N.2C2H6/c1-3-5-6(7)4-2;2*1-2/h6H,3-5,7H2,1-2H3;2*1-2H3
InChIKeyZEAOEBVOLQRWMI-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;hexan-3-amine?
The IUPAC name of ethane;hexan-3-amine (CID 143616305) is ethane;hexan-3-amine.
What is the SMILES notation for ethane;hexan-3-amine?
The canonical SMILES for ethane;hexan-3-amine is CC.CC.CCCC(N)CC.
What is the InChIKey of ethane;hexan-3-amine?
The InChIKey is ZEAOEBVOLQRWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.2C2H6/c1-3-5-6(7)4-2;2*1-2/h6H,3-5,7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;hexan-3-amine?
ethane;hexan-3-amine has a molecular weight of 161.33 g/mol, XLogP of 3.58, 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 is sourced from PubChem (CID 143616305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).