N,N',N'-tricyclohexylmethanediamine

C19H36N2 — CID 57164561

IUPACN,N',N'-tricyclohexylmethanediamine
SMILESC1CCC(NCN(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C19H36N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-20H,1-16H2
InChIKeyKTDXFABIFMPFQZ-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.83
Rot. Bonds5

About N,N',N'-tricyclohexylmethanediamine

N,N',N'-tricyclohexylmethanediamine (PubChem CID 57164561) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N,N',N'-tricyclohexylmethanediamine.

Molecular Properties

Compound NameN,N',N'-tricyclohexylmethanediamine
PubChem CID57164561
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN,N',N'-tricyclohexylmethanediamine
SMILESC1CCC(NCN(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C19H36N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-20H,1-16H2
InChIKeyKTDXFABIFMPFQZ-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,3-Tricyclohexylurea
CID 307042
N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 15664413
Methylene-bis(cyclohexylamine)
CID 12447459
N-cyclohexylcyclohexane-1,1-diamine
CID 20469228
Tricyclohexylammonium chloride
CID 129881485
1-N,4-N-dicyclohexylcyclohexane-1,4-diamine
CID 116170
1,1,3-Tricyclohexylthiourea
CID 3910253
Tricyclohexylazanium
CID 18689602
N-[1-[4-[1-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine
CID 20203768
N-cyclohexylcyclohexanamine;N,N-dimethylcyclohexanamine
CID 20342506
Tricyclohexylazanium iodide
CID 20461285
1-N,1-N'-dicyclohexylethane-1,1-diamine
CID 20594547

Frequently Asked Questions

What is the IUPAC name of N,N',N'-tricyclohexylmethanediamine?
The IUPAC name of N,N',N'-tricyclohexylmethanediamine (CID 57164561) is N,N',N'-tricyclohexylmethanediamine.
What is the SMILES notation for N,N',N'-tricyclohexylmethanediamine?
The canonical SMILES for N,N',N'-tricyclohexylmethanediamine is C1CCC(NCN(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of N,N',N'-tricyclohexylmethanediamine?
The InChIKey is KTDXFABIFMPFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-20H,1-16H2.
What are the key properties of N,N',N'-tricyclohexylmethanediamine?
N,N',N'-tricyclohexylmethanediamine has a molecular weight of 292.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tricyclohexylmethanediamine is sourced from PubChem (CID 57164561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).