N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine

C10H20N2 — CID 134975754

IUPACN'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine
SMILESCN(C)CN(C)C1=CCCCC1
InChIInChI=1S/C10H20N2/c1-11(2)9-12(3)10-7-5-4-6-8-10/h7H,4-6,8-9H2,1-3H3
InChIKeyRKFHDDIIOVUNMI-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.90
Rot. Bonds3

About N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine

N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine (PubChem CID 134975754) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine.

Molecular Properties

Compound NameN'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine
PubChem CID134975754
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine
SMILESCN(C)CN(C)C1=CCCCC1
InChIInChI=1S/C10H20N2/c1-11(2)9-12(3)10-7-5-4-6-8-10/h7H,4-6,8-9H2,1-3H3
InChIKeyRKFHDDIIOVUNMI-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine?
The IUPAC name of N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine (CID 134975754) is N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine.
What is the SMILES notation for N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine?
The canonical SMILES for N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine is CN(C)CN(C)C1=CCCCC1.
What is the InChIKey of N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine?
The InChIKey is RKFHDDIIOVUNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-11(2)9-12(3)10-7-5-4-6-8-10/h7H,4-6,8-9H2,1-3H3.
What are the key properties of N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine?
N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine has a molecular weight of 168.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexen-1-yl)-N,N,N'-trimethylmethanediamine is sourced from PubChem (CID 134975754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).