7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine

C13H28N2 — CID 91593500

IUPAC7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
SMILESCCC1CCC(NC)CCC(NC)CC1
InChIInChI=1S/C13H28N2/c1-4-11-5-7-12(14-2)9-10-13(15-3)8-6-11/h11-15H,4-10H2,1-3H3
InChIKeyBRSDDODGLIEGNC-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.54
Rot. Bonds3

About 7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine

7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine (PubChem CID 91593500) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine.

Molecular Properties

Compound Name7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
PubChem CID91593500
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
SMILESCCC1CCC(NC)CCC(NC)CC1
InChIInChI=1S/C13H28N2/c1-4-11-5-7-12(14-2)9-10-13(15-3)8-6-11/h11-15H,4-10H2,1-3H3
InChIKeyBRSDDODGLIEGNC-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 155331377
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
3-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 164846388
4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine
CID 67721034
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
ethanamine;ethylcyclopropane
CID 70018487
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine?
The IUPAC name of 7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine (CID 91593500) is 7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine.
What is the SMILES notation for 7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine?
The canonical SMILES for 7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine is CCC1CCC(NC)CCC(NC)CC1.
What is the InChIKey of 7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine?
The InChIKey is BRSDDODGLIEGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-11-5-7-12(14-2)9-10-13(15-3)8-6-11/h11-15H,4-10H2,1-3H3.
What are the key properties of 7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine?
7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine is sourced from PubChem (CID 91593500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).