(3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine

C14H23N — CID 122705367

IUPAC(3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine
SMILESC/N=C1\C=C(C)[C@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C14H23N/c1-10-9-11(15-5)12-13(2,3)7-6-8-14(10,12)4/h9,12H,6-8H2,1-5H3/b15-11+/t12-,14-/m0/s1
InChIKeyGECVGENMDLEMLJ-LOFVZMDWSA-N
MW205.34 g/mol
LogP3.85
Rot. Bonds

About (3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine

(3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine (PubChem CID 122705367) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine.

Molecular Properties

Compound Name(3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine
PubChem CID122705367
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine
SMILESC/N=C1\C=C(C)[C@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C14H23N/c1-10-9-11(15-5)12-13(2,3)7-6-8-14(10,12)4/h9,12H,6-8H2,1-5H3/b15-11+/t12-,14-/m0/s1
InChIKeyGECVGENMDLEMLJ-LOFVZMDWSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
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 (3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine?
The IUPAC name of (3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine (CID 122705367) is (3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine.
What is the SMILES notation for (3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine?
The canonical SMILES for (3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine is C/N=C1\C=C(C)[C@]2(C)CCCC(C)(C)[C@H]12.
What is the InChIKey of (3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine?
The InChIKey is GECVGENMDLEMLJ-LOFVZMDWSA-N. The full InChI is InChI=1S/C14H23N/c1-10-9-11(15-5)12-13(2,3)7-6-8-14(10,12)4/h9,12H,6-8H2,1-5H3/b15-11+/t12-,14-/m0/s1.
What are the key properties of (3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine?
(3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine has a molecular weight of 205.34 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-N,3,3a,7,7-pentamethyl-4,5,6,7a-tetrahydroinden-1-imine is sourced from PubChem (CID 122705367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).