(4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine

C13H17N3 — CID 142230915

IUPAC(4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine
SMILESCc1nc(N(C)C)/c2c(n1)=CC/C=C\C/C=2
InChIInChI=1S/C13H17N3/c1-10-14-12-9-7-5-4-6-8-11(12)13(15-10)16(2)3/h4-5,8-9H,6-7H2,1-3H3/b5-4-,11-8+,12-9?
InChIKeyQVMOJWQOTOKINJ-RXYQSWHZSA-N
MW215.30 g/mol
LogP0.76
Rot. Bonds1

About (4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine

(4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine (PubChem CID 142230915) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name(4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine
PubChem CID142230915
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine
SMILESCc1nc(N(C)C)/c2c(n1)=CC/C=C\C/C=2
InChIInChI=1S/C13H17N3/c1-10-14-12-9-7-5-4-6-8-11(12)13(15-10)16(2)3/h4-5,8-9H,6-7H2,1-3H3/b5-4-,11-8+,12-9?
InChIKeyQVMOJWQOTOKINJ-RXYQSWHZSA-N
XLogP0.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium N,N,2,4-tetramethyl-3H-pyridin-3-id-6-amine
CID 134971132
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CID 68215789
(7Z)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methyl-4-methylidene-5,6-dihydro-1,3-diazocine
CID 89053548
(2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine
CID 91425885
N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797
N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142228197
(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine
CID 142229076
N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142229587
ethane;1-ethenyl-N,5-dimethylpyridin-2-imine
CID 143611239
ethane;N-ethenyl-1,5-dimethylpyridin-2-imine
CID 145448739

Frequently Asked Questions

What is the IUPAC name of (4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine?
The IUPAC name of (4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine (CID 142230915) is (4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine.
What is the SMILES notation for (4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine?
The canonical SMILES for (4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine is Cc1nc(N(C)C)/c2c(n1)=CC/C=C\C/C=2.
What is the InChIKey of (4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine?
The InChIKey is QVMOJWQOTOKINJ-RXYQSWHZSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-14-12-9-7-5-4-6-8-11(12)13(15-10)16(2)3/h4-5,8-9H,6-7H2,1-3H3/b5-4-,11-8+,12-9?.
What are the key properties of (4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine?
(4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine has a molecular weight of 215.30 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine is sourced from PubChem (CID 142230915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).