(1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine

C10H17N — CID 14891006

IUPAC(1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESC/N=C1\[C@@H]2CC[C@@H](C2)C1(C)C
InChIInChI=1S/C10H17N/c1-10(2)8-5-4-7(6-8)9(10)11-3/h7-8H,4-6H2,1-3H3/b11-9+/t7-,8+/m1/s1
InChIKeyPDAOQWRAHRESSJ-FEORRWSDSA-N
MW151.25 g/mol
LogP2.51
Rot. Bonds

About (1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine

(1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 14891006) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name(1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID14891006
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESC/N=C1\[C@@H]2CC[C@@H](C2)C1(C)C
InChIInChI=1S/C10H17N/c1-10(2)8-5-4-7(6-8)9(10)11-3/h7-8H,4-6H2,1-3H3/b11-9+/t7-,8+/m1/s1
InChIKeyPDAOQWRAHRESSJ-FEORRWSDSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-imine
CID 12392069
(1R,4R)-1,7,7-trimethyl-N-pentylbicyclo[2.2.1]heptan-2-imine
CID 137636507
(1R,4R)-N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 137654936
(1R,4R)-N-heptyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 137660140
(1R,4R)-N-hexyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 137644056
N-[(2Z)-5,5,6-Trimethylbicyclo[2.2.1]heptan-2-ylidene]hydroxylamine
CID 5465597
(1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 137652738
(Z,1R,4S)-N-[(E)-3,3-dimethylbutan-2-ylideneamino]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-imine
CID 134925596
3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine
CID 170850135
1,7,7-trimethyl-N-(4-methylpentan-2-yl)bicyclo[2.2.1]heptan-2-imine
CID 238074
5,5,6-Trimethylnorbornan-2-one oxime
CID 6374126
(1R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-imine
CID 14949435

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of (1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine (CID 14891006) is (1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for (1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for (1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine is C/N=C1\[C@@H]2CC[C@@H](C2)C1(C)C.
What is the InChIKey of (1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is PDAOQWRAHRESSJ-FEORRWSDSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2)8-5-4-7(6-8)9(10)11-3/h7-8H,4-6H2,1-3H3/b11-9+/t7-,8+/m1/s1.
What are the key properties of (1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine?
(1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 151.25 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N,3,3-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 14891006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).