cyclohexane-1,2-diamine;propane-1,3-diamine

C9H24N4 — CID 162135343

IUPACcyclohexane-1,2-diamine;propane-1,3-diamine
SMILESNC1CCCCC1N.NCCCN
InChIInChI=1S/C6H14N2.C3H10N2/c7-5-3-1-2-4-6(5)8;4-2-1-3-5/h5-6H,1-4,7-8H2;1-5H2
InChIKeyZJEWWCLXJAPEFO-UHFFFAOYSA-N
MW188.32 g/mol
LogP-0.49
Rot. Bonds2

About cyclohexane-1,2-diamine;propane-1,3-diamine

cyclohexane-1,2-diamine;propane-1,3-diamine (PubChem CID 162135343) has the molecular formula C9H24N4 and a molecular weight of 188.32 g/mol. Its IUPAC name is cyclohexane-1,2-diamine;propane-1,3-diamine.

Molecular Properties

Compound Namecyclohexane-1,2-diamine;propane-1,3-diamine
PubChem CID162135343
Molecular FormulaC9H24N4
Molecular Weight188.32 g/mol
Exact Mass188.20
IUPAC Namecyclohexane-1,2-diamine;propane-1,3-diamine
SMILESNC1CCCCC1N.NCCCN
InChIInChI=1S/C6H14N2.C3H10N2/c7-5-3-1-2-4-6(5)8;4-2-1-3-5/h5-6H,1-4,7-8H2;1-5H2
InChIKeyZJEWWCLXJAPEFO-UHFFFAOYSA-N
XLogP-0.49
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze cyclohexane-1,2-diamine;propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine
CID 174890647
tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
CID 139176759
chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
CID 139198738
cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
CID 66730598
platinum;trans-(1R,2R)-cyclopentane-1,2-diamine
CID 87290141
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride
CID 163198683
3-aminopropan-1-ol;cyclooctanamine
CID 22649733
cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate
CID 3049901

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine;propane-1,3-diamine?
The IUPAC name of cyclohexane-1,2-diamine;propane-1,3-diamine (CID 162135343) is cyclohexane-1,2-diamine;propane-1,3-diamine.
What is the SMILES notation for cyclohexane-1,2-diamine;propane-1,3-diamine?
The canonical SMILES for cyclohexane-1,2-diamine;propane-1,3-diamine is NC1CCCCC1N.NCCCN.
What is the InChIKey of cyclohexane-1,2-diamine;propane-1,3-diamine?
The InChIKey is ZJEWWCLXJAPEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C3H10N2/c7-5-3-1-2-4-6(5)8;4-2-1-3-5/h5-6H,1-4,7-8H2;1-5H2.
What are the key properties of cyclohexane-1,2-diamine;propane-1,3-diamine?
cyclohexane-1,2-diamine;propane-1,3-diamine has a molecular weight of 188.32 g/mol, XLogP of -0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diamine;propane-1,3-diamine is sourced from PubChem (CID 162135343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).