ethane;heptane;propane-1,3-diamine

C12H32N2 — CID 157305381

IUPACethane;heptane;propane-1,3-diamine
SMILESCC.CCCCCCC.NCCCN
InChIInChI=1S/C7H16.C3H10N2.C2H6/c1-3-5-7-6-4-2;4-2-1-3-5;1-2/h3-7H2,1-2H3;1-5H2;1-2H3
InChIKeyBCKCDKSZMRREEG-UHFFFAOYSA-N
MW204.40 g/mol
LogP3.30
Rot. Bonds6

About ethane;heptane;propane-1,3-diamine

ethane;heptane;propane-1,3-diamine (PubChem CID 157305381) has the molecular formula C12H32N2 and a molecular weight of 204.40 g/mol. Its IUPAC name is ethane;heptane;propane-1,3-diamine.

Molecular Properties

Compound Nameethane;heptane;propane-1,3-diamine
PubChem CID157305381
Molecular FormulaC12H32N2
Molecular Weight204.40 g/mol
Exact Mass204.26
IUPAC Nameethane;heptane;propane-1,3-diamine
SMILESCC.CCCCCCC.NCCCN
InChIInChI=1S/C7H16.C3H10N2.C2H6/c1-3-5-7-6-4-2;4-2-1-3-5;1-2/h3-7H2,1-2H3;1-5H2;1-2H3
InChIKeyBCKCDKSZMRREEG-UHFFFAOYSA-N
XLogP3.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;tetrakis(heptane);bis(propane-1,3-diamine)
CID 160550641
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
nonan-1-amine;dihydrate
CID 174770026
copper;hexan-1-amine
CID 87269039
octadecan-1-amine;trihydrochloride
CID 175177898

Frequently Asked Questions

What is the IUPAC name of ethane;heptane;propane-1,3-diamine?
The IUPAC name of ethane;heptane;propane-1,3-diamine (CID 157305381) is ethane;heptane;propane-1,3-diamine.
What is the SMILES notation for ethane;heptane;propane-1,3-diamine?
The canonical SMILES for ethane;heptane;propane-1,3-diamine is CC.CCCCCCC.NCCCN.
What is the InChIKey of ethane;heptane;propane-1,3-diamine?
The InChIKey is BCKCDKSZMRREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C3H10N2.C2H6/c1-3-5-7-6-4-2;4-2-1-3-5;1-2/h3-7H2,1-2H3;1-5H2;1-2H3.
What are the key properties of ethane;heptane;propane-1,3-diamine?
ethane;heptane;propane-1,3-diamine has a molecular weight of 204.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;heptane;propane-1,3-diamine is sourced from PubChem (CID 157305381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).