N,N'-dicyclohexyl-N,N'-diethylmethanediamine

C17H34N2 — CID 15930828

IUPACN,N'-dicyclohexyl-N,N'-diethylmethanediamine
SMILESCCN(CN(CC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-3-18(16-11-7-5-8-12-16)15-19(4-2)17-13-9-6-10-14-17/h16-17H,3-15H2,1-2H3
InChIKeyKRKPNKLRFROKSQ-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.25
Rot. Bonds6

About N,N'-dicyclohexyl-N,N'-diethylmethanediamine

N,N'-dicyclohexyl-N,N'-diethylmethanediamine (PubChem CID 15930828) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N,N'-dicyclohexyl-N,N'-diethylmethanediamine.

Molecular Properties

Compound NameN,N'-dicyclohexyl-N,N'-diethylmethanediamine
PubChem CID15930828
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN,N'-dicyclohexyl-N,N'-diethylmethanediamine
SMILESCCN(CN(CC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-3-18(16-11-7-5-8-12-16)15-19(4-2)17-13-9-6-10-14-17/h16-17H,3-15H2,1-2H3
InChIKeyKRKPNKLRFROKSQ-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-dicyclohexyl-N,N'-diethylmethanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-1-isopropyl-3,3-dimethylselenourea
CID 24776961
N,N,N',N'-tetraethyldiaminocyclohexane
CID 90929652
N,N'-dicyclohexyl-N,N,N',N'-tetramethyldecane-1,10-diaminium
CID 4354334
1,3-Dicyclohexyl-1,3-dimethylselenourea
CID 12787622
1,10-bis-(N-methyl-N-cyclohexylamino)decane
CID 129778596
bis-(N-methyl-N-cyclohexylamino)octane
CID 129780199
1,3-Dicyclohexyl-1,3-diethylselenourea
CID 134917218
1,3-Dibutyl-1,3-dicyclohexylselenourea
CID 134917415
2-(Dicyclohexylamino)ethyl-triethylazanium
CID 200911
1,3-Dicyclohexyl-1,3-di(propan-2-yl)urea
CID 14738091
Cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 3094114
N-cyclohexyl-N-pentan-3-ylcyclohexanamine
CID 13497222

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-N,N'-diethylmethanediamine?
The IUPAC name of N,N'-dicyclohexyl-N,N'-diethylmethanediamine (CID 15930828) is N,N'-dicyclohexyl-N,N'-diethylmethanediamine.
What is the SMILES notation for N,N'-dicyclohexyl-N,N'-diethylmethanediamine?
The canonical SMILES for N,N'-dicyclohexyl-N,N'-diethylmethanediamine is CCN(CN(CC)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N'-dicyclohexyl-N,N'-diethylmethanediamine?
The InChIKey is KRKPNKLRFROKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-18(16-11-7-5-8-12-16)15-19(4-2)17-13-9-6-10-14-17/h16-17H,3-15H2,1-2H3.
What are the key properties of N,N'-dicyclohexyl-N,N'-diethylmethanediamine?
N,N'-dicyclohexyl-N,N'-diethylmethanediamine has a molecular weight of 266.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-N,N'-diethylmethanediamine is sourced from PubChem (CID 15930828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).