N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine

C12H22N2 — CID 139712766

IUPACN-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine
SMILESC=CNCC1CCCC(CNC=C)C1
InChIInChI=1S/C12H22N2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h3-4,11-14H,1-2,5-10H2
InChIKeyRDJDGDBUUSMMKR-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.26
Rot. Bonds6

About N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine

N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine (PubChem CID 139712766) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine.

Molecular Properties

Compound NameN-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine
PubChem CID139712766
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine
SMILESC=CNCC1CCCC(CNC=C)C1
InChIInChI=1S/C12H22N2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h3-4,11-14H,1-2,5-10H2
InChIKeyRDJDGDBUUSMMKR-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine?
The IUPAC name of N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine (CID 139712766) is N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine.
What is the SMILES notation for N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine?
The canonical SMILES for N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine is C=CNCC1CCCC(CNC=C)C1.
What is the InChIKey of N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine?
The InChIKey is RDJDGDBUUSMMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h3-4,11-14H,1-2,5-10H2.
What are the key properties of N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine?
N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine has a molecular weight of 194.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(ethenylamino)methyl]cyclohexyl]methyl]ethenamine is sourced from PubChem (CID 139712766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).