N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine

C10H20N2 — CID 138531947

IUPACN-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine
SMILESCNC1=C(C(C)NC)CCCC1
InChIInChI=1S/C10H20N2/c1-8(11-2)9-6-4-5-7-10(9)12-3/h8,11-12H,4-7H2,1-3H3
InChIKeyVGBAUUOHUKYRPJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.64
Rot. Bonds3

About N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine

N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine (PubChem CID 138531947) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine.

Molecular Properties

Compound NameN-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine
PubChem CID138531947
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine
SMILESCNC1=C(C(C)NC)CCCC1
InChIInChI=1S/C10H20N2/c1-8(11-2)9-6-4-5-7-10(9)12-3/h8,11-12H,4-7H2,1-3H3
InChIKeyVGBAUUOHUKYRPJ-UHFFFAOYSA-N
XLogP1.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine?
The IUPAC name of N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine (CID 138531947) is N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine.
What is the SMILES notation for N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine?
The canonical SMILES for N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine is CNC1=C(C(C)NC)CCCC1.
What is the InChIKey of N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine?
The InChIKey is VGBAUUOHUKYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(11-2)9-6-4-5-7-10(9)12-3/h8,11-12H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine?
N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(methylamino)ethyl]cyclohexen-1-amine is sourced from PubChem (CID 138531947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).