3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine

C19H41N5 — CID 19758478

IUPAC3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CN(CCCN(C)C)CN(C2CCCCC2)C1
InChIInChI=1S/C19H41N5/c1-20(2)12-8-14-22-16-23(15-9-13-21(3)4)18-24(17-22)19-10-6-5-7-11-19/h19H,5-18H2,1-4H3
InChIKeyAWQHJOYWIVFWEN-UHFFFAOYSA-N
MW339.57 g/mol
LogP2.01
Rot. Bonds9

About 3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine

3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 19758478) has the molecular formula C19H41N5 and a molecular weight of 339.57 g/mol. Its IUPAC name is 3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID19758478
Molecular FormulaC19H41N5
Molecular Weight339.57 g/mol
Exact Mass339.34
IUPAC Name3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CN(CCCN(C)C)CN(C2CCCCC2)C1
InChIInChI=1S/C19H41N5/c1-20(2)12-8-14-22-16-23(15-9-13-21(3)4)18-24(17-22)19-10-6-5-7-11-19/h19H,5-18H2,1-4H3
InChIKeyAWQHJOYWIVFWEN-UHFFFAOYSA-N
XLogP2.01
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine (CID 19758478) is 3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CN(CCCN(C)C)CN(C2CCCCC2)C1.
What is the InChIKey of 3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is AWQHJOYWIVFWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N5/c1-20(2)12-8-14-22-16-23(15-9-13-21(3)4)18-24(17-22)19-10-6-5-7-11-19/h19H,5-18H2,1-4H3.
What are the key properties of 3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine?
3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 339.57 g/mol, XLogP of 2.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclohexyl-5-[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 19758478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).