N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine

C14H30N2 — CID 62260508

IUPACN,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
SMILESCNCC(C)(C)CN(C)C1CCCCC1C
InChIInChI=1S/C14H30N2/c1-12-8-6-7-9-13(12)16(5)11-14(2,3)10-15-4/h12-13,15H,6-11H2,1-5H3
InChIKeyPQWSUXKPWBQNDI-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds5

About N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine

N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine (PubChem CID 62260508) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
PubChem CID62260508
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
SMILESCNCC(C)(C)CN(C)C1CCCCC1C
InChIInChI=1S/C14H30N2/c1-12-8-6-7-9-13(12)16(5)11-14(2,3)10-15-4/h12-13,15H,6-11H2,1-5H3
InChIKeyPQWSUXKPWBQNDI-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine (CID 62260508) is N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine is CNCC(C)(C)CN(C)C1CCCCC1C.
What is the InChIKey of N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is PQWSUXKPWBQNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12-8-6-7-9-13(12)16(5)11-14(2,3)10-15-4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 62260508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).