1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine

C15H33N3 — CID 101492125

IUPAC1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
SMILESCC(C)NC1CC(NC(C)C)CC(NC(C)C)C1
InChIInChI=1S/C15H33N3/c1-10(2)16-13-7-14(17-11(3)4)9-15(8-13)18-12(5)6/h10-18H,7-9H2,1-6H3
InChIKeyCMULVWVTYSHYKW-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.27
Rot. Bonds6

About 1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine

1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine (PubChem CID 101492125) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
PubChem CID101492125
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
SMILESCC(C)NC1CC(NC(C)C)CC(NC(C)C)C1
InChIInChI=1S/C15H33N3/c1-10(2)16-13-7-14(17-11(3)4)9-15(8-13)18-12(5)6/h10-18H,7-9H2,1-6H3
InChIKeyCMULVWVTYSHYKW-UHFFFAOYSA-N
XLogP2.27
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine (CID 101492125) is 1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine is CC(C)NC1CC(NC(C)C)CC(NC(C)C)C1.
What is the InChIKey of 1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine?
The InChIKey is CMULVWVTYSHYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-10(2)16-13-7-14(17-11(3)4)9-15(8-13)18-12(5)6/h10-18H,7-9H2,1-6H3.
What are the key properties of 1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine?
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine has a molecular weight of 255.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine is sourced from PubChem (CID 101492125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).