cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine

C19H46N6 — CID 174890647

IUPACcyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN.NC1CCC(N)CC1.NC1CCCCC1N
InChIInChI=1S/C7H18N2.2C6H14N2/c1-3-9(4-2)7-5-6-8;7-5-1-2-6(8)4-3-5;7-5-3-1-2-4-6(5)8/h3-8H2,1-2H3;2*5-6H,1-4,7-8H2
InChIKeyGSYTYGPTTLJRKD-UHFFFAOYSA-N
MW358.62 g/mol
LogP1.11
Rot. Bonds5

About cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine

cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine (PubChem CID 174890647) has the molecular formula C19H46N6 and a molecular weight of 358.62 g/mol. Its IUPAC name is cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Namecyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine
PubChem CID174890647
Molecular FormulaC19H46N6
Molecular Weight358.62 g/mol
Exact Mass358.38
IUPAC Namecyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN.NC1CCC(N)CC1.NC1CCCCC1N
InChIInChI=1S/C7H18N2.2C6H14N2/c1-3-9(4-2)7-5-6-8;7-5-1-2-6(8)4-3-5;7-5-3-1-2-4-6(5)8/h3-8H2,1-2H3;2*5-6H,1-4,7-8H2
InChIKeyGSYTYGPTTLJRKD-UHFFFAOYSA-N
XLogP1.11
TPSA133.34 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 51.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexane-1,2-diamine;propane-1,3-diamine
CID 162135343
N',N'-diethylpropane-1,3-diamine;piperazine
CID 67567532
N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992621
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N',N'-diethylnonane-1,9-diamine
CID 22055140
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate
CID 173347428
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine?
The IUPAC name of cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine (CID 174890647) is cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCN.NC1CCC(N)CC1.NC1CCCCC1N.
What is the InChIKey of cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine?
The InChIKey is GSYTYGPTTLJRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.2C6H14N2/c1-3-9(4-2)7-5-6-8;7-5-1-2-6(8)4-3-5;7-5-3-1-2-4-6(5)8/h3-8H2,1-2H3;2*5-6H,1-4,7-8H2.
What are the key properties of cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine?
cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine has a molecular weight of 358.62 g/mol, XLogP of 1.11, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 174890647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).