3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine

C14H28N4 — CID 19758499

IUPAC3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine
SMILESC=CCN1CN(CC=C)CN(CCCN(C)C)C1
InChIInChI=1S/C14H28N4/c1-5-8-16-12-17(9-6-2)14-18(13-16)11-7-10-15(3)4/h5-6H,1-2,7-14H2,3-4H3
InChIKeyUCXJNVLPIDGYSR-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.10
Rot. Bonds8

About 3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine

3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 19758499) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID19758499
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine
SMILESC=CCN1CN(CC=C)CN(CCCN(C)C)C1
InChIInChI=1S/C14H28N4/c1-5-8-16-12-17(9-6-2)14-18(13-16)11-7-10-15(3)4/h5-6H,1-2,7-14H2,3-4H3
InChIKeyUCXJNVLPIDGYSR-UHFFFAOYSA-N
XLogP1.10
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine (CID 19758499) is 3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine is C=CCN1CN(CC=C)CN(CCCN(C)C)C1.
What is the InChIKey of 3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is UCXJNVLPIDGYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-8-16-12-17(9-6-2)14-18(13-16)11-7-10-15(3)4/h5-6H,1-2,7-14H2,3-4H3.
What are the key properties of 3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine?
3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 1.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 19758499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).