(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine

C13H19N — CID 89050075

IUPAC(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine
SMILES[H]/N=C1\C=C[C@@]2(C)C(=C1)CCC(C)C2C
InChIInChI=1S/C13H19N/c1-9-4-5-11-8-12(14)6-7-13(11,3)10(9)2/h6-10,14H,4-5H2,1-3H3/b14-12+/t9?,10?,13-/m1/s1
InChIKeyRFSLRFLCMLZHQT-CDOPDIORSA-N
MW189.30 g/mol
LogP3.57
Rot. Bonds

About (4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine

(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine (PubChem CID 89050075) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine.

Molecular Properties

Compound Name(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine
PubChem CID89050075
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine
SMILES[H]/N=C1\C=C[C@@]2(C)C(=C1)CCC(C)C2C
InChIInChI=1S/C13H19N/c1-9-4-5-11-8-12(14)6-7-13(11,3)10(9)2/h6-10,14H,4-5H2,1-3H3/b14-12+/t9?,10?,13-/m1/s1
InChIKeyRFSLRFLCMLZHQT-CDOPDIORSA-N
XLogP3.57
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine?
The IUPAC name of (4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine (CID 89050075) is (4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine.
What is the SMILES notation for (4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine?
The canonical SMILES for (4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine is [H]/N=C1\C=C[C@@]2(C)C(=C1)CCC(C)C2C.
What is the InChIKey of (4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine?
The InChIKey is RFSLRFLCMLZHQT-CDOPDIORSA-N. The full InChI is InChI=1S/C13H19N/c1-9-4-5-11-8-12(14)6-7-13(11,3)10(9)2/h6-10,14H,4-5H2,1-3H3/b14-12+/t9?,10?,13-/m1/s1.
What are the key properties of (4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine?
(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine has a molecular weight of 189.30 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine is sourced from PubChem (CID 89050075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).