(1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine

C11H19N — CID 101360713

IUPAC(1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine
SMILESCC(C)(C)N[C@H]1C[C@H]2C=CC[C@H]21
InChIInChI=1S/C11H19N/c1-11(2,3)12-10-7-8-5-4-6-9(8)10/h4-5,8-10,12H,6-7H2,1-3H3/t8-,9-,10+/m1/s1
InChIKeyIZSFQJNXUKYZQL-BBBLOLIVSA-N
MW165.28 g/mol
LogP2.34
Rot. Bonds1

About (1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine

(1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine (PubChem CID 101360713) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine.

Molecular Properties

Compound Name(1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine
PubChem CID101360713
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine
SMILESCC(C)(C)N[C@H]1C[C@H]2C=CC[C@H]21
InChIInChI=1S/C11H19N/c1-11(2,3)12-10-7-8-5-4-6-9(8)10/h4-5,8-10,12H,6-7H2,1-3H3/t8-,9-,10+/m1/s1
InChIKeyIZSFQJNXUKYZQL-BBBLOLIVSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
(Bicyclo(2.2.1)hept-5-en-2-ylmethyl)(propan-2-yl)amine
CID 43225117
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(tert-butyl)amine
CID 43754984
N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223299
N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43788016
N-[2-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43788062
N-[3-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43791401
N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63225897
N-(4,4,4-trifluorobutan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 105932187
N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 106210392
N-(2,2,3,3-tetrafluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 106289652

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine?
The IUPAC name of (1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine (CID 101360713) is (1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine.
What is the SMILES notation for (1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine?
The canonical SMILES for (1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine is CC(C)(C)N[C@H]1C[C@H]2C=CC[C@H]21.
What is the InChIKey of (1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine?
The InChIKey is IZSFQJNXUKYZQL-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H19N/c1-11(2,3)12-10-7-8-5-4-6-9(8)10/h4-5,8-10,12H,6-7H2,1-3H3/t8-,9-,10+/m1/s1.
What are the key properties of (1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine?
(1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine has a molecular weight of 165.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine is sourced from PubChem (CID 101360713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).