N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine

C9H16N2 — CID 155460005

IUPACN-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine
SMILESCN(C)N=CC1C=CCCC1
InChIInChI=1S/C9H16N2/c1-11(2)10-8-9-6-4-3-5-7-9/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyVXZIBVRZPSOIAI-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds2

About N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine

N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine (PubChem CID 155460005) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine.

Molecular Properties

Compound NameN-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine
PubChem CID155460005
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine
SMILESCN(C)N=CC1C=CCCC1
InChIInChI=1S/C9H16N2/c1-11(2)10-8-9-6-4-3-5-7-9/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyVXZIBVRZPSOIAI-UHFFFAOYSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine?
The IUPAC name of N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine (CID 155460005) is N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine.
What is the SMILES notation for N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine?
The canonical SMILES for N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine is CN(C)N=CC1C=CCCC1.
What is the InChIKey of N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine?
The InChIKey is VXZIBVRZPSOIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-11(2)10-8-9-6-4-3-5-7-9/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine?
N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine is sourced from PubChem (CID 155460005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).