cyclohexane-1,4-diamine;ethane-1,2-diamine

C8H22N4 — CID 70127275

IUPACcyclohexane-1,4-diamine;ethane-1,2-diamine
SMILESNC1CCC(N)CC1.NCCN
InChIInChI=1S/C6H14N2.C2H8N2/c7-5-1-2-6(8)4-3-5;3-1-2-4/h5-6H,1-4,7-8H2;1-4H2
InChIKeyJWPQRNFVXWCCSR-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.88
Rot. Bonds1

About cyclohexane-1,4-diamine;ethane-1,2-diamine

cyclohexane-1,4-diamine;ethane-1,2-diamine (PubChem CID 70127275) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is cyclohexane-1,4-diamine;ethane-1,2-diamine.

Molecular Properties

Compound Namecyclohexane-1,4-diamine;ethane-1,2-diamine
PubChem CID70127275
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Namecyclohexane-1,4-diamine;ethane-1,2-diamine
SMILESNC1CCC(N)CC1.NCCN
InChIInChI=1S/C6H14N2.C2H8N2/c7-5-1-2-6(8)4-3-5;3-1-2-4/h5-6H,1-4,7-8H2;1-4H2
InChIKeyJWPQRNFVXWCCSR-UHFFFAOYSA-N
XLogP-0.88
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethoxy)cyclohexan-1-amine
CID 64981454
cyclopropanamine;propan-1-amine
CID 19917220
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
(1,2,3-13C3)cyclopropanamine
CID 76972988
4-(3-aminopropyl)cyclohexan-1-amine
CID 22292235
4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 54348885
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
CID 70522175
4-(3-aminopropylsulfanyl)cyclohexan-1-amine
CID 66219977
cyclopropanamine;hydrochloride;hydrofluoride
CID 174873111
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
CID 159510225
heptan-1-amine;4-methylcyclohexan-1-amine
CID 157323652

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-diamine;ethane-1,2-diamine?
The IUPAC name of cyclohexane-1,4-diamine;ethane-1,2-diamine (CID 70127275) is cyclohexane-1,4-diamine;ethane-1,2-diamine.
What is the SMILES notation for cyclohexane-1,4-diamine;ethane-1,2-diamine?
The canonical SMILES for cyclohexane-1,4-diamine;ethane-1,2-diamine is NC1CCC(N)CC1.NCCN.
What is the InChIKey of cyclohexane-1,4-diamine;ethane-1,2-diamine?
The InChIKey is JWPQRNFVXWCCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2H8N2/c7-5-1-2-6(8)4-3-5;3-1-2-4/h5-6H,1-4,7-8H2;1-4H2.
What are the key properties of cyclohexane-1,4-diamine;ethane-1,2-diamine?
cyclohexane-1,4-diamine;ethane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of -0.88, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-diamine;ethane-1,2-diamine is sourced from PubChem (CID 70127275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).