6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine

C15H28N6 — CID 163879729

IUPAC6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine
SMILESCC/C(C)=N/C(C)=C\C(CC)CCC1=NC(N)N=C(N)N1
InChIInChI=1S/C15H28N6/c1-5-10(3)18-11(4)9-12(6-2)7-8-13-19-14(16)21-15(17)20-13/h9,12,14H,5-8,16H2,1-4H3,(H3,17,19,20,21)/b11-9-,18-10+
InChIKeyPSCBTUOBFRWCPB-GWNMMOMOSA-N
MW292.43 g/mol
LogP2.13
Rot. Bonds7

About 6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine

6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine (PubChem CID 163879729) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine
PubChem CID163879729
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine
SMILESCC/C(C)=N/C(C)=C\C(CC)CCC1=NC(N)N=C(N)N1
InChIInChI=1S/C15H28N6/c1-5-10(3)18-11(4)9-12(6-2)7-8-13-19-14(16)21-15(17)20-13/h9,12,14H,5-8,16H2,1-4H3,(H3,17,19,20,21)/b11-9-,18-10+
InChIKeyPSCBTUOBFRWCPB-GWNMMOMOSA-N
XLogP2.13
TPSA101.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N,4,6-trimethyl-3,4-dihydro-1H-pyridin-2-imine
CID 137119405
2-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine-4,6-diamine
CID 164008192
2-Methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine
CID 166805466
5-cyclopentyl-N-methyl-1,3-dihydropyrrol-2-imine
CID 143756815

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine (CID 163879729) is 6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine is CC/C(C)=N/C(C)=C\C(CC)CCC1=NC(N)N=C(N)N1.
What is the InChIKey of 6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine?
The InChIKey is PSCBTUOBFRWCPB-GWNMMOMOSA-N. The full InChI is InChI=1S/C15H28N6/c1-5-10(3)18-11(4)9-12(6-2)7-8-13-19-14(16)21-15(17)20-13/h9,12,14H,5-8,16H2,1-4H3,(H3,17,19,20,21)/b11-9-,18-10+.
What are the key properties of 6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine?
6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-5-(butan-2-ylideneamino)-3-ethylhex-4-enyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 163879729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).