ethane;methanamine;bis(propan-1-amine)

C9H29N3 — CID 142026160

IUPACethane;methanamine;bis(propan-1-amine)
SMILESCC.CCCN.CCCN.CN
InChIInChI=1S/2C3H9N.C2H6.CH5N/c2*1-2-3-4;2*1-2/h2*2-4H2,1H3;1-2H3;2H2,1H3
InChIKeyJAXIZCIYZAXHEC-UHFFFAOYSA-N
MW179.35 g/mol
LogP1.31
Rot. Bonds2

About ethane;methanamine;bis(propan-1-amine)

ethane;methanamine;bis(propan-1-amine) (PubChem CID 142026160) has the molecular formula C9H29N3 and a molecular weight of 179.35 g/mol. Its IUPAC name is ethane;methanamine;bis(propan-1-amine).

Molecular Properties

Compound Nameethane;methanamine;bis(propan-1-amine)
PubChem CID142026160
Molecular FormulaC9H29N3
Molecular Weight179.35 g/mol
Exact Mass179.24
IUPAC Nameethane;methanamine;bis(propan-1-amine)
SMILESCC.CCCN.CCCN.CN
InChIInChI=1S/2C3H9N.C2H6.CH5N/c2*1-2-3-4;2*1-2/h2*2-4H2,1H3;1-2H3;2H2,1H3
InChIKeyJAXIZCIYZAXHEC-UHFFFAOYSA-N
XLogP1.31
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methanamine;propan-1-amine
CID 174401189
tetrakis(propan-1-amine);hydrochloride
CID 175147517
azane;propan-1-amine;hydrochloride
CID 141075684
cyclohexane;propan-1-amine
CID 159085812
ethanamine;ethane;ethane-1,2-diamine
CID 144954036
butane;ethane;methanamine;propane
CID 144557316
butane;ethane;methanamine;hydrate
CID 144914284
N-methylmethanamine;propan-1-amine;trihydrochloride
CID 174050669
2-methylpropan-2-amine;propan-1-amine
CID 19917238
aminomethanol;propan-1-amine;dihydrate
CID 140660358
butane;methanamine
CID 22416644
ethane;methanamine;propane
CID 91195053

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;bis(propan-1-amine)?
The IUPAC name of ethane;methanamine;bis(propan-1-amine) (CID 142026160) is ethane;methanamine;bis(propan-1-amine).
What is the SMILES notation for ethane;methanamine;bis(propan-1-amine)?
The canonical SMILES for ethane;methanamine;bis(propan-1-amine) is CC.CCCN.CCCN.CN.
What is the InChIKey of ethane;methanamine;bis(propan-1-amine)?
The InChIKey is JAXIZCIYZAXHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.C2H6.CH5N/c2*1-2-3-4;2*1-2/h2*2-4H2,1H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;bis(propan-1-amine)?
ethane;methanamine;bis(propan-1-amine) has a molecular weight of 179.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;bis(propan-1-amine) is sourced from PubChem (CID 142026160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).