N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine

C10H20N2 — CID 90219042

IUPACN-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine
SMILESCNCC1=CCC(CNC)CC1
InChIInChI=1S/C10H20N2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3,10-12H,4-8H2,1-2H3
InChIKeyWDEGTNXSDOJOGR-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.15
Rot. Bonds4

About N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine

N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine (PubChem CID 90219042) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine
PubChem CID90219042
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine
SMILESCNCC1=CCC(CNC)CC1
InChIInChI=1S/C10H20N2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3,10-12H,4-8H2,1-2H3
InChIKeyWDEGTNXSDOJOGR-UHFFFAOYSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine (CID 90219042) is N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine is CNCC1=CCC(CNC)CC1.
What is the InChIKey of N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine?
The InChIKey is WDEGTNXSDOJOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3,10-12H,4-8H2,1-2H3.
What are the key properties of N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine?
N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine is sourced from PubChem (CID 90219042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).